![2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide structure](/static/products/847/847402-89-5.png)
2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide
TL;DR: 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide (CAS 847402-89-5) is a chemical compound with molecular formula C22H18N6O2S3 and molecular weight 494.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide, 2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, 2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, N-(1,3-thiazol-2-yl){5-[(2-oxo-2,3-dihydro-1,3-benzothiazolidin-3-yl)methyl]-4-(o-tolyl)-4H-1,2,4-triazol-3-ylthio}acetamide
| Molecular Formula | C22H18N6O2S3 |
|---|---|
| Molecular Weight | 494.07 g/mol |
| LogP | 4.18772 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.06534 |
| Heavy Atoms | 33 |
| Complexity | 1485.6183 |
Chemical Identifiers
| CAS Number | 847402-89-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=NC=CS3)CN4C5=CC=CC=C5SC4=O |
Product Overview
2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide (CAS 847402-89-5), with molecular formula C22H18N6O2S3 and molecular weight 494.07 g/mol. IUPAC: 2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide
Property Insights of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide
The XLogP value of 4.18772 indicates that 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide?
The CAS number of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide is 847402-89-5.
What is the molecular formula of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide?
The molecular formula of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide is C22H18N6O2S3.
What is the molecular weight of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide?
The molecular weight of 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide is 494.07 g/mol.
Where can I buy 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide?
You can request a quote for 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-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-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.