P4T
Summary
| Name: | 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE |
| Synonyms: | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone |
| Formula: | C12 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 232.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone |
| OpenEye OEToolkits | 1.5.0 | 1-(4-methyl-2-phenylazanyl-1,3-thiazol-5-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1sc(nc1C)Nc2ccccc2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)c1sc(Nc2ccccc2)nc1C |
| SMILES | CACTVS | 3.341 | CC(=O)c1sc(Nc2ccccc2)nc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)Nc2ccccc2)C(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)Nc2ccccc2)C(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | UIIUOFPGDKBCEZ-UHFFFAOYSA-N |
