N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
TL;DR: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide (CAS 313516-22-2) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
Also Known As: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide, BAS 03212495, AH-034/06261015, N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-4-methyl-benzamide
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 313516-22-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C |
| InChIKey | MZOXDAAJYAZDTC-UHFFFAOYSA-N |
Product Overview
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide (CAS 313516-22-2), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide.
Chemical Property Profile of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
Property Insights of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide. Following Lipinski's Rule of Five, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide 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-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide?
The CAS number of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide is 313516-22-2.
What is the molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide?
The molecular formula of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide is C12H13N3OS.
What is the molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide?
The molecular weight of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide is 247.08 g/mol.
Where can I buy N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide?
You can request a quote for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.