N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-beta-alanine
Chemical Structure Depiction of
N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-beta-alanine
N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-beta-alanine
Compound characteristics
| Compound ID: | 6645-0489 |
| Compound Name: | N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-beta-alanine |
| Molecular Weight: | 188.2 |
| Molecular Formula: | C6 H8 N2 O3 S |
| Smiles: | C(CNC1=NC(CS1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.2654 |
| logD: | -3.961 |
| logSw: | -0.8399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.658 |
| InChI Key: | KJMVRLYBMMSINS-UHFFFAOYSA-N |