A1I97
Summary
| Name: | 2-(aminomethyl)-~{N}-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide |
| Formula: | C12 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 263.316 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(aminomethyl)-~{N}-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13N3O2S/c1-7-11(18-10(6-13)14-7)12(17)15-8-3-2-4-9(16)5-8/h2-5,16H,6,13H2,1H3,(H,15,17) |
| InChIKey | InChI | 1.06 | MMJSWRPAWBHTFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(CN)sc1C(=O)Nc2cccc(O)c2 |
| SMILES | CACTVS | 3.385 | Cc1nc(CN)sc1C(=O)Nc2cccc(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)CN)C(=O)Nc2cccc(c2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)CN)C(=O)Nc2cccc(c2)O |
