N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
TL;DR: N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391875-64-2) is a chemical compound with molecular formula C13H12F3N3OS2 and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
Also Known As: IFLab1_001906, F0470-0420, N-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide, N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide, N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
| Molecular Formula | C13H12F3N3OS2 |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 4.3097 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.03738 |
| Heavy Atoms | 22 |
| Complexity | 670.5451 |
Chemical Identifiers
| CAS Number | 391875-64-2 |
|---|---|
| SMILES | CC(C)SC1=NN=C(S1)NC(=O)C2=CC=CC=C2C(F)(F)F |
Product Overview
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391875-64-2), with molecular formula C13H12F3N3OS2 and molecular weight 347.04 g/mol. IUPAC: N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
Property Insights of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
The XLogP value of 4.3097 indicates that N-(5-(isopropylthio)-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 54.88 Ų, N-(5-(isopropylthio)-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-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide 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-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The CAS number of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is 391875-64-2.
What is the molecular formula of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The molecular formula of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is C13H12F3N3OS2.
What is the molecular weight of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The molecular weight of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is 347.04 g/mol.
Where can I buy N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
You can request a quote for N-(5-(isopropylthio)-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-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.