2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
TL;DR: 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 927982-68-1) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
Also Known As: 2-(2-cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid, 5-Thiazolecarboxylic acid, 2-[(2-cyanophenyl)amino]-4-methyl-, 2-[(2-Cyanophenyl)amino]-4-methyl-5-thiazolecarboxylic acid, 2-[(2-cyanophenyl)amino]-4-methyl-1,3-thiazole-5-carboxylic Acid
| Molecular Formula | C12H9N3O2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 2.765 |
| Topological Polar Surface Area | 86.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.04153 |
| Heavy Atoms | 18 |
| Complexity | 643.0123 |
Chemical Identifiers
| CAS Number | 927982-68-1 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC2=CC=CC=C2C#N)C(=O)O |
Product Overview
2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 927982-68-1), with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol. IUPAC: 2-(2-cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid.
Chemical Property Profile of 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
Property Insights of 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
The XLogP value of 2.765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid. The TPSA of 86.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid 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 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The CAS number of 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is 927982-68-1.
What is the molecular formula of 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The molecular formula of 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is C12H9N3O2S.
What is the molecular weight of 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The molecular weight of 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is 259.04 g/mol.
Where can I buy 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
You can request a quote for 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Cyanoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.