TL;DR: 4-Methyl-2-[(methylsulfonyl)amino]-1,3-thiazole-5-carboxylic acid (CAS 129912-21-6) is a chemical compound with molecular formula C6H8N2O4S2 and molecular weight 235.99255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
Also Known As: 2-Methanesulfonylamino-4-methyl-thiazole-5-carboxylic acid, BAS 10142091, 4-Methyl-2-(methylsulfonamido)thiazole-5-carboxylic acid, 4-methyl-2-[(methylsulfonyl)amino]-1,3-thiazole-5-carboxylic acid, BB 0220598
| Molecular Formula | C6H8N2O4S2 |
| Molecular Weight | 235.99255 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.99255 Da |
| Heavy Atoms | 14 |
| Complexity | 323.0 |
| SMILES | CC1=C(SC(=N1)NS(=O)(=O)C)C(=O)O |
| InChIKey | RDSIODJZQJVHRQ-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-[(methylsulfonyl)amino]-1,3-thiazole-5-carboxylic acid. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-[(methylsulfonyl)amino]-1,3-thiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 4-Methyl-2-[(methylsulfonyl)amino]-1,3-thiazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Methyl-2-[(methylsulfonyl)amino]-1,3-thiazole-5-carboxylic acid is 129912-21-6.
The molecular formula of 4-Methyl-2-[(methylsulfonyl)amino]-1,3-thiazole-5-carboxylic acid is C6H8N2O4S2.
The molecular weight of 4-Methyl-2-[(methylsulfonyl)amino]-1,3-thiazole-5-carboxylic acid is 235.99255 g/mol.
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