N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide
TL;DR: N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide (CAS 442650-53-5) is a chemical compound with molecular formula C9H6N6OS and molecular weight 246.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: BAS 04080789, AN-989/41071056, N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide, N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-5-carboxamide, N-2,1,3-benzothiadiazol-4-yl-1H-1,2,4-triazole-3-carboxamide
| Molecular Formula | C9H6N6OS |
|---|---|
| Molecular Weight | 246.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.03238 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 442650-53-5 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)NC(=O)C3=NC=NN3 |
| InChIKey | JMUCTUCUQPXZKW-UHFFFAOYSA-N |
Product Overview
N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide (CAS 442650-53-5), with molecular formula C9H6N6OS and molecular weight 246.03 g/mol. IUPAC: N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide
Property Insights of N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide. Following Lipinski's Rule of Five, N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide has 2 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 N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide?
The CAS number of N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide is 442650-53-5.
What is the molecular formula of N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide is C9H6N6OS.
What is the molecular weight of N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide is 246.03 g/mol.
Where can I buy N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-benzothiadiazol-4-yl)-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.