2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid
TL;DR: 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid (CAS 162651-12-9) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
Also Known As: 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid, 2-(benzylamino)-4-methylthiazole-5-carboxylic acid, 2-Benzylamino-4-methyl-thiazole-5-carboxylic acid, 5-thiazolecarboxylic acid, 4-methyl-2-[(phenylmethyl)amino]-, 2-(benzylamino)-4-methyl-thiazole-5-carboxylic acid
Technical Specifications
| Molecular Formula | C12H12N2O2S |
| Molecular Weight | 248.06195 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 Da |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
| SMILES | CC1=C(SC(=N1)NCC2=CC=CC=C2)C(=O)O |
| InChIKey | CZHJAIHKSZKTAU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid
Property Insights of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid
The XLogP value of 3.0 indicates that 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid. Following Lipinski's Rule of Five, 2-(benzylamino)-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
What is the CAS number of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid?
The CAS number of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid is 162651-12-9.
What is the molecular formula of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid?
The molecular formula of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid is C12H12N2O2S.
What is the molecular weight of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid?
The molecular weight of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid is 248.06195 g/mol.
Where can I buy 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid?
You can request a quote for 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid?
Yes, CoreyChem provides custom synthesis services for 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.