A1BXZ
Summary
| Name: | N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Formula: | C11 H12 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 248.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1nc(cs1)C1CC1)c1cc[NH]n1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N4OS/c16-11(8-3-4-13-15-8)12-5-10-14-9(6-17-10)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,12,16)(H,13,15) |
| InChIKey | InChI | 1.06 | JGYUOEDSKCUYRY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1scc(n1)C2CC2)c3cc[nH]n3 |
| SMILES | CACTVS | 3.385 | O=C(NCc1scc(n1)C2CC2)c3cc[nH]n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]nc1C(=O)NCc2nc(cs2)C3CC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]nc1C(=O)NCc2nc(cs2)C3CC3 |
