N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide
TL;DR: N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide (CAS 392301-13-2) is a chemical compound with molecular formula C14H14F3N3OS2 and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
Also Known As: F0417-1705, N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide, 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide, 2-methyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
| Molecular Formula | C14H14F3N3OS2 |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | 4.4437 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.05304 |
| Heavy Atoms | 23 |
| Complexity | 668.65216 |
Chemical Identifiers
| CAS Number | 392301-13-2 |
|---|---|
| SMILES | CC(C)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(F)(F)F |
Product Overview
N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide (CAS 392301-13-2), with molecular formula C14H14F3N3OS2 and molecular weight 361.05 g/mol. IUPAC: 2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide.
Chemical Property Profile of N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide
Property Insights of N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide
The XLogP value of 4.4437 indicates that N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide 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-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide has 1 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 N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The CAS number of N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is 392301-13-2.
What is the molecular formula of N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The molecular formula of N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is C14H14F3N3OS2.
What is the molecular weight of N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The molecular weight of N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is 361.05 g/mol.
Where can I buy N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
You can request a quote for N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.