![N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide structure](/static/products/4016/401637-16-9.webp)
N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide
TL;DR: N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide (CAS 401637-16-9) is a chemical compound with molecular formula C18H12F3N3O2S and molecular weight 391.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide
Also Known As: N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide, N-[(2Z)-5-Acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide, 5-acetyl-2-(2-oxo-2-phenyl-1-azaethylidene)-3-[3-(trifluoromethyl)phenyl]-1,3, 4-thiadiazoline
| Molecular Formula | C18H12F3N3O2S |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | 3.8963 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.06024 |
| Heavy Atoms | 27 |
| Complexity | 1069.201 |
Chemical Identifiers
| CAS Number | 401637-16-9 |
|---|---|
| SMILES | CC(=O)C1=NN(C(=NC(=O)C2=CC=CC=C2)S1)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide (CAS 401637-16-9), with molecular formula C18H12F3N3O2S and molecular weight 391.06 g/mol. IUPAC: N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide.
Chemical Property Profile of N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide
Property Insights of N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide
The XLogP value of 3.8963 indicates that N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide. Following Lipinski's Rule of Five, N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide has 0 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-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide?
The CAS number of N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide is 401637-16-9.
What is the molecular formula of N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide?
The molecular formula of N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide is C18H12F3N3O2S.
What is the molecular weight of N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide?
The molecular weight of N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide is 391.06 g/mol.
Where can I buy N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide?
You can request a quote for N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]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-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-acetyl-3-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-ylidene]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.