A1DOM
Summary
| Name: | methyl 2-(methylamino)-1,3-thiazole-5-carboxylate |
| Formula: | C6 H8 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 172.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | methyl 2-(methylamino)-1,3-thiazole-5-carboxylate |
| OpenEye OEToolkits | 3.1.0.0 | methyl 2-(methylamino)-1,3-thiazole-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CNc1ncc(s1)C(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C6H8N2O2S/c1-7-6-8-3-4(11-6)5(9)10-2/h3H,1-2H3,(H,7,8) |
| InChIKey | InChI | 1.06 | VMVNSABKEREPNI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1sc(cn1)C(=O)OC |
| SMILES | CACTVS | 3.385 | CNc1sc(cn1)C(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNc1ncc(s1)C(=O)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNc1ncc(s1)C(=O)OC |
