N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide
TL;DR: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide (CAS 877793-91-4) is a chemical compound with molecular formula C13H11N5OS and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
Also Known As: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide, N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide, N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide, N-(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
| Molecular Formula | C13H11N5OS |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.06842 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 877793-91-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC=CS3)N |
| InChIKey | ZMKAVYADZYBOFM-UHFFFAOYSA-N |
Product Overview
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide (CAS 877793-91-4), with molecular formula C13H11N5OS and molecular weight 285.07 g/mol. IUPAC: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide.
Chemical Property Profile of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide
Property Insights of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide. Following Lipinski's Rule of Five, N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide has 2 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-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide?
The CAS number of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide is 877793-91-4.
What is the molecular formula of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide?
The molecular formula of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide is C13H11N5OS.
What is the molecular weight of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide?
The molecular weight of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide is 285.07 g/mol.
Where can I buy N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide?
You can request a quote for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.