N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
TL;DR: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391864-27-0) is a chemical compound with molecular formula C13H12F3N3OS and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
Also Known As: IFLab1_001766, AB00667941-01, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide, F0453-0315, N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
| Molecular Formula | C13H12F3N3OS |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.9326 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.0653 |
| Heavy Atoms | 21 |
| Complexity | 652.1062 |
Chemical Identifiers
| CAS Number | 391864-27-0 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)C2=CC=CC=C2C(F)(F)F |
Product Overview
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CAS 391864-27-0), with molecular formula C13H12F3N3OS and molecular weight 315.07 g/mol. IUPAC: N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
Property Insights of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
The XLogP value of 3.9326 indicates that N-(5-isopropyl-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-isopropyl-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-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide has 1 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-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The CAS number of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is 391864-27-0.
What is the molecular formula of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The molecular formula of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is C13H12F3N3OS.
What is the molecular weight of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The molecular weight of N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is 315.07 g/mol.
Where can I buy N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
You can request a quote for N-(5-isopropyl-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-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.