4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 556042-91-2) is a chemical compound with molecular formula C12H10N4OS and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide, BENZAMIDE, 4-CYANO-N-(5-ETHYL-1,3,4-THIADIAZOL-2-YL)-, Benzamide, 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)- (9CI)
| Molecular Formula | C12H10N4OS |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 2.22448 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.05753 |
| Heavy Atoms | 18 |
| Complexity | 597.28516 |
Chemical Identifiers
| CAS Number | 556042-91-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C#N |
Product Overview
4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 556042-91-2), with molecular formula C12H10N4OS and molecular weight 258.06 g/mol. IUPAC: 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 2.22448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)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 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is 556042-91-2.
What is the molecular formula of 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is C12H10N4OS.
What is the molecular weight of 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is 258.06 g/mol.
Where can I buy 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.