![2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide structure](/static/products/501/501112-67-0.png)
2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide
TL;DR: 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide (CAS 501112-67-0) is a chemical compound with molecular formula C24H22N6OS4 and molecular weight 538.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Also Known As: 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide, 2-({4-allyl-5-[(1,3-benzothiazol-2-ylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide, 2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, 2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]-N-(3 -cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))acetamide
| Molecular Formula | C24H22N6OS4 |
|---|---|
| Molecular Weight | 538.07 g/mol |
| LogP | 5.90888 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.0738 |
| Heavy Atoms | 35 |
| Complexity | 1396.6516 |
Chemical Identifiers
| CAS Number | 501112-67-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CSC4=NC5=CC=CC=C5S4 |
Product Overview
2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide (CAS 501112-67-0), with molecular formula C24H22N6OS4 and molecular weight 538.07 g/mol. IUPAC: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
Chemical Property Profile of 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide
Property Insights of 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide
The XLogP value of 5.90888 indicates that 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide?
The CAS number of 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide is 501112-67-0.
What is the molecular formula of 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide?
The molecular formula of 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide is C24H22N6OS4.
What is the molecular weight of 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide?
The molecular weight of 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide is 538.07 g/mol.
Where can I buy 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide?
You can request a quote for 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.