685
Summary
| Name: | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide |
| Synonyms: | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide |
| Formula: | C20 H23 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 397.494 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1sc(nc1C)c2nc(ncc2)Nc3cc(cc(c3)C)C)NC(C)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CO)NC(=O)c1sc(nc1C)c2ccnc(Nc3cc(C)cc(C)c3)n2 |
| SMILES | CACTVS | 3.341 | C[CH](CO)NC(=O)c1sc(nc1C)c2ccnc(Nc3cc(C)cc(C)c3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)N[C@@H](C)CO)C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)NC(C)CO)C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H23N5O2S/c1-11-7-12(2)9-15(8-11)24-20-21-6-5-16(25-20)19-23-14(4)17(28-19)18(27)22-13(3)10-26/h5-9,13,26H,10H2,1-4H3,(H,22,27)(H,21,24,25)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | PEGXADGTBNRSGV-ZDUSSCGKSA-N |
