1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
TL;DR: 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 890645-97-3) is a chemical compound with molecular formula C14H13ClN6OS and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide
Also Known As: 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, VU0509814-1, F3126-1193, 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide, [1-(2-chlorophenyl)-5-methyl(1,2,3-triazol-4-yl)]-N-(5-ethyl(1,3,4-thiadiazol- 2-yl))carboxamide
| Molecular Formula | C14H13ClN6OS |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 2.89532 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.056 |
| Heavy Atoms | 23 |
| Complexity | 858.582 |
Chemical Identifiers
| CAS Number | 890645-97-3 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3Cl)C |
Product Overview
1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 890645-97-3), with molecular formula C14H13ClN6OS and molecular weight 348.06 g/mol. IUPAC: 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide.
Chemical Property Profile of 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Property Insights of 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
The XLogP value of 2.89532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide has 1 hydrogen bond donor(s) and 6 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 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is 890645-97-3.
What is the molecular formula of 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is C14H13ClN6OS.
What is the molecular weight of 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide is 348.06 g/mol.
Where can I buy 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.