3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol
Also Known As: CA inhibitor, 2|Enamine_001180|CBDivE_007352|3-benzyl-5-4-methylthiazolium|3-Benzyl-5- -4-methylthiazolium|5293AH|3-Benzyl-4-methylthiazolium-5-ethanol|3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium|3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM|3-Benzyl-4-methyl-5-(2-hydroxyethyl)thiazolium|2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol|3-Benzyl-4-methyl-5-(2-hydroxyethyl)thiazol-3-ium|3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazol-3-ium|5-(2-Hydroxyethyl)-3-benzyl-4-methylthiazole-3-ium|Thiazolium,5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-|3-Benzyl-4-methyl-1-thia-3-azonia-2,4-cyclopentadiene-5-ethanol
| Molecular Formula | C13H16NOS+ |
|---|---|
| Molecular Weight | 234.09526 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.09526 |
| Monoisotopic Mass | 234.09526 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 4568-71-2 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CC=CC=C2)CCO |
| InChIKey | KFFCZLRCIKDJRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium (CAS 4568-71-2), with molecular formula C13H16NOS+ and molecular weight 234.09526 g/mol. IUPAC: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol.