O01
Summary
| Name: | [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methanamine |
| Synonyms: | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine |
| Formula: | C9 H12 N4 S |
| Formal charge: | 0 |
| Formula weight: | 208.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine |
| OpenEye OEToolkits | 1.7.6 | [3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(sc(c1cc(CN)nn1)c2C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H12N4S/c1-5-9(14-6(2)11-5)8-3-7(4-10)12-13-8/h3H,4,10H2,1-2H3,(H,12,13) |
| InChIKey | InChI | 1.03 | IPDYKGULJOZYNW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(c(C)n1)c2cc(CN)[nH]n2 |
| SMILES | CACTVS | 3.385 | Cc1sc(c(C)n1)c2cc(CN)[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)C)c2cc([nH]n2)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)C)c2cc([nH]n2)CN |
