![2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide structure](/static/products/7808/780818-72-6.webp)
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide
TL;DR: 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide (CAS 780818-72-6) is a chemical compound with molecular formula C15H15FN6OS2 and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
Also Known As: 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide, 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(5-(4-fluorobenzyl)thiazol-2-yl)acetamide, 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide, 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio]-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]acetamide, 2-(4-amino-5-methyl(1,2,4-triazol-3-ylthio))-N-{5-[(4-fluorophenyl)methyl](1,3 -thiazol-2-yl)}acetamide
| Molecular Formula | C15H15FN6OS2 |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 2.21752 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.07327 |
| Heavy Atoms | 25 |
| Complexity | 876.5364 |
Chemical Identifiers
| CAS Number | 780818-72-6 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)F |
Product Overview
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide (CAS 780818-72-6), with molecular formula C15H15FN6OS2 and molecular weight 378.07 g/mol. IUPAC: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
Chemical Property Profile of 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide
Property Insights of 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide
The XLogP value of 2.21752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide. The TPSA of 98.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide. Following Lipinski's Rule of Five, 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide has 2 hydrogen bond donor(s) and 7 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-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide?
The CAS number of 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide is 780818-72-6.
What is the molecular formula of 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide?
The molecular formula of 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide is C15H15FN6OS2.
What is the molecular weight of 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide?
The molecular weight of 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide is 378.07 g/mol.
Where can I buy 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide?
You can request a quote for 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-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-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.