2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid
TL;DR: 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid (CAS 162651-11-8) is a chemical compound with molecular formula C9H14N2O2S and molecular weight 214.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(tert-butylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
Also Known As: 2-t-butylamino-4-methyl-thiazole-5-carboxylic acid, 2-(tert-butylamino)-4-methyl-1,3-thiazole-5-carboxylic acid, 5-Thiazolecarboxylic acid, 2-[(1,1-dimethylethyl)amino]-4-methyl-, 4-methyl-2-(tert-butylamino)-1,3-thiazole-5-carboxylic Acid, 2-[(1,1-Dimethylethyl)amino]-4-methyl-5-thiazolecarboxylic acid
Technical Specifications
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.0776 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.0776 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | CC1=C(SC(=N1)NC(C)(C)C)C(=O)O |
| InChIKey | FXAPSYXKUGWVLK-UHFFFAOYSA-N |
Chemical Property Profile of 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid
Property Insights of 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-t-Butylamino-4-methyl-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-t-Butylamino-4-methyl-thiazole-5-carboxylic acid?
The CAS number of 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid is 162651-11-8.
What is the molecular formula of 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid?
The molecular formula of 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid is C9H14N2O2S.
What is the molecular weight of 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid?
The molecular weight of 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid is 214.0776 g/mol.
Where can I buy 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid?
You can request a quote for 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-t-Butylamino-4-methyl-thiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.