N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
TL;DR: N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391864-15-6) is a chemical compound with molecular formula C10H6F3N3OS2 and molecular weight 304.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzamide
Also Known As: N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide, N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide, F0453-0298, N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzamide
| Molecular Formula | C10H6F3N3OS2 |
|---|---|
| Molecular Weight | 304.99 g/mol |
| LogP | 3.47179 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.99045 |
| Heavy Atoms | 19 |
| Complexity | 662.2798 |
Chemical Identifiers
| CAS Number | 391864-15-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=NNC(=S)S2)C(F)(F)F |
Product Overview
N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391864-15-6), with molecular formula C10H6F3N3OS2 and molecular weight 304.99 g/mol. IUPAC: N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
Property Insights of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
The XLogP value of 3.47179 indicates that N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.78 Ų, N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide has 2 hydrogen bond donor(s) and 4 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 N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The CAS number of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is 391864-15-6.
What is the molecular formula of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The molecular formula of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is C10H6F3N3OS2.
What is the molecular weight of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The molecular weight of N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is 304.99 g/mol.
Where can I buy N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
You can request a quote for N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.