![5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide structure](/static/products/866/866345-84-8.png)
5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
TL;DR: 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide (CAS 866345-84-8) is a chemical compound with molecular formula C17H18N6O2S and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
Also Known As: 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide, 5-amino-1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-N-(thien-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(2-oxo-2-(p-tolylamino)ethyl)-N-(thiophen-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C17H18N6O2S |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 1.79892 |
| Topological Polar Surface Area | 114.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.1212 |
| Heavy Atoms | 26 |
| Complexity | 901.99335 |
Chemical Identifiers
| CAS Number | 866345-84-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CS3)N |
Product Overview
5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide (CAS 866345-84-8), with molecular formula C17H18N6O2S and molecular weight 370.12 g/mol. IUPAC: 5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.
Chemical Property Profile of 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Property Insights of 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
The XLogP value of 1.79892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide. The TPSA of 114.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide has 3 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 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide is 866345-84-8.
What is the molecular formula of 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide is C17H18N6O2S.
What is the molecular weight of 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide is 370.12 g/mol.
Where can I buy 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)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 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-{[(4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.