N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
TL;DR: N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide (CAS 392303-50-3) is a chemical compound with molecular formula C17H11F4N3OS2 and molecular weight 413.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide
Also Known As: N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide, N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide, F0417-1985, N-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
| Molecular Formula | C17H11F4N3OS2 |
|---|---|
| Molecular Weight | 413.03 g/mol |
| LogP | 5.2406 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.02795 |
| Heavy Atoms | 27 |
| Complexity | 959.1016 |
Chemical Identifiers
| CAS Number | 392303-50-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide (CAS 392303-50-3), with molecular formula C17H11F4N3OS2 and molecular weight 413.03 g/mol. IUPAC: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
Property Insights of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
The XLogP value of 5.2406 indicates that N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The CAS number of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide is 392303-50-3.
What is the molecular formula of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The molecular formula of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide is C17H11F4N3OS2.
What is the molecular weight of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The molecular weight of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide is 413.03 g/mol.
Where can I buy N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
You can request a quote for N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(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-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.