HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,5-Diethylthiazol-2-ylcarbamoylcarboxylic Acid
Identifiers & Physical Properties
| Molecular formula | C9H12N2O3S |
|---|---|
| Average molar mass | 228.27 g/mol |
| Monoisotopic mass | 228.05686342 g/mol |
| SMILES | CCc1nc(NC(=O)C(=O)O)sc1CC |
| InChIKey | XQYCGGHUDABGFK-UHFFFAOYSA-N |
| PubChem CID | 12831787 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 108 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 260 |