![3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one structure](/static/products/847/847400-08-2.png)
3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
TL;DR: 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one (CAS 847400-08-2) is a chemical compound with molecular formula C17H19N5O2S2 and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one, 3-[(4-methyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one, 3-[[4-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C17H19N5O2S2 |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 1.9543 |
| Topological Polar Surface Area | 73.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.09802 |
| Heavy Atoms | 26 |
| Complexity | 1000.16486 |
Chemical Identifiers
| CAS Number | 847400-08-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCCC2)CN3C4=CC=CC=C4SC3=O |
Product Overview
3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one (CAS 847400-08-2), with molecular formula C17H19N5O2S2 and molecular weight 389.10 g/mol. IUPAC: 3-[[4-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
Property Insights of 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
The XLogP value of 1.9543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one. The TPSA of 73.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one. Following Lipinski's Rule of Five, 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one has 0 hydrogen bond donor(s) and 6 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 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The CAS number of 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is 847400-08-2.
What is the molecular formula of 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The molecular formula of 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is C17H19N5O2S2.
What is the molecular weight of 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
The molecular weight of 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one is 389.10 g/mol.
Where can I buy 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
You can request a quote for 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.