3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide
TL;DR: 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide (CAS 392301-77-8) is a chemical compound with molecular formula C15H16F3N3OS2 and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: F0417-1791, 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide, 3-methyl-N-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide, 3-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide
| Molecular Formula | C15H16F3N3OS2 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 4.8338 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.0687 |
| Heavy Atoms | 24 |
| Complexity | 701.2679 |
Chemical Identifiers
| CAS Number | 392301-77-8 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide (CAS 392301-77-8), with molecular formula C15H16F3N3OS2 and molecular weight 375.07 g/mol. IUPAC: 3-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide
Property Insights of 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide
The XLogP value of 4.8338 indicates that 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide 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 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide?
The CAS number of 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide is 392301-77-8.
What is the molecular formula of 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide?
The molecular formula of 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide is C15H16F3N3OS2.
What is the molecular weight of 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide?
The molecular weight of 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide is 375.07 g/mol.
Where can I buy 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide?
You can request a quote for 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.