DZY
Summary
| Name: | (2,5-dimethyl-1,3-thiazol-4-yl)acetic acid |
| Formula: | C7 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 171.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2,5-dimethyl-1,3-thiazol-4-yl)acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc1nc(sc1C)C |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO2S/c1-4-6(3-7(9)10)8-5(2)11-4/h3H2,1-2H3,(H,9,10) |
| InChIKey | InChI | 1.03 | FFPWICPYXBDRHM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1sc(C)c(CC(O)=O)n1 |
| SMILES | CACTVS | 3.370 | Cc1sc(C)c(CC(O)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(s1)C)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(s1)C)CC(=O)O |
