A1I96
Summary
| Name: | ~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide |
| Formula: | C9 H11 N3 O S2 |
| Formal charge: | 0 |
| Formula weight: | 241.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11N3OS2/c1-5-7(15-6(2)11-5)8(13)12-9-10-3-4-14-9/h3-4H2,1-2H3,(H,10,12,13) |
| InChIKey | InChI | 1.06 | KQJWNYWFLQHGJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(C(=O)NC2=NCCS2)c(C)n1 |
| SMILES | CACTVS | 3.385 | Cc1sc(C(=O)NC2=NCCS2)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)C)C(=O)NC2=NCCS2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)C)C(=O)NC2=NCCS2 |
