CK4
Summary
| Name: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE |
| Synonyms: | 4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(4-TRIFLUOROMETHYL-PHENYL)-AMINE |
| Formula: | C16 H13 F3 N4 S |
| Formal charge: | 0 |
| Formula weight: | 350.361 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine |
| OpenEye OEToolkits | 1.5.0 | 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)c1ccc(cc1)Nc3nc(c2sc(nc2C)C)ccn3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1sc(c(C)n1)c2ccnc(Nc3ccc(cc3)C(F)(F)F)n2 |
| SMILES | CACTVS | 3.341 | Cc1sc(c(C)n1)c2ccnc(Nc3ccc(cc3)C(F)(F)F)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23) |
| InChIKey | InChI | 1.03 | MEZFDQUDLQCVNX-UHFFFAOYSA-N |
