5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 587007-13-4) is a chemical compound with molecular formula C7H9N5S2 and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol, 3-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione, 3-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione, AS-871/42027763
| Molecular Formula | C7H9N5S2 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.02994 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 587007-13-4 |
|---|---|
| SMILES | CC1=C(SC(=N1)N)C2=NNC(=S)N2C |
| InChIKey | CPTCQKPQQFKAHK-UHFFFAOYSA-N |
Product Overview
5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 587007-13-4), with molecular formula C7H9N5S2 and molecular weight 227.03 g/mol. IUPAC: 3-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 5 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 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol is 587007-13-4.
What is the molecular formula of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol is C7H9N5S2.
What is the molecular weight of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol is 227.03 g/mol.
Where can I buy 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.