N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide
TL;DR: N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide (CAS 896356-98-2) is a chemical compound with molecular formula C18H13N3OS2 and molecular weight 351.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
Also Known As: N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide, N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-(methylsulfanyl)benzamide, F2554-0062, N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
| Molecular Formula | C18H13N3OS2 |
|---|---|
| Molecular Weight | 351.05 g/mol |
| LogP | 4.65598 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.05002 |
| Heavy Atoms | 24 |
| Complexity | 910.51337 |
Chemical Identifiers
| CAS Number | 896356-98-2 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C#N |
Product Overview
N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide (CAS 896356-98-2), with molecular formula C18H13N3OS2 and molecular weight 351.05 g/mol. IUPAC: N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide.
Chemical Property Profile of N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide
Property Insights of N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide
The XLogP value of 4.65598 indicates that N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide. Following Lipinski's Rule of Five, N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)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-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide?
The CAS number of N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide is 896356-98-2.
What is the molecular formula of N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide?
The molecular formula of N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide is C18H13N3OS2.
What is the molecular weight of N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide?
The molecular weight of N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide is 351.05 g/mol.
Where can I buy N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide?
You can request a quote for N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(4-cyanophenyl)thiazol-2-yl)-3-(methylthio)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.