![2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide structure](/static/products/6906/690643-06-2.webp)
2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide (CAS 690643-06-2) is a chemical compound with molecular formula C18H17F3N6OS2 and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide, 2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, 2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{5-[(2-amino(1,3-thiazol-4-yl))methyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio) }-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H17F3N6OS2 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 3.8432 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.08572 |
| Heavy Atoms | 30 |
| Complexity | 1046.7189 |
Chemical Identifiers
| CAS Number | 690643-06-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)CC3=CSC(=N3)N |
Product Overview
2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide (CAS 690643-06-2), with molecular formula C18H17F3N6OS2 and molecular weight 454.09 g/mol. IUPAC: 2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide
The XLogP value of 3.8432 indicates that 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]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-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide is 690643-06-2.
What is the molecular formula of 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide is C18H17F3N6OS2.
What is the molecular weight of 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide is 454.09 g/mol.
Where can I buy 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]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-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-allyl-5-[(2-amino-1,3-thiazol-4-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-[2-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.