A1DPB
Summary
| Name: | 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2(1H)-one |
| Formula: | C11 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 220.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2(1H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1nc(CN2C=CC(C)=CC2=O)cs1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2OS/c1-8-3-4-13(11(14)5-8)6-10-7-15-9(2)12-10/h3-5,7H,6H2,1-2H3 |
| InChIKey | InChI | 1.06 | BQTYJZIBFIJOSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1scc(CN2C=CC(=CC2=O)C)n1 |
| SMILES | CACTVS | 3.385 | Cc1scc(CN2C=CC(=CC2=O)C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(cs1)CN2C=CC(=CC2=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(cs1)CN2C=CC(=CC2=O)C |
