| MolName | (E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C18H11N2OF3S |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc1nc(-c(ccc(F)c2)c2F)cs1 |
| InChI | InChI=1S/C18H11F3N2OS/c19-12-4-1-11(2-5-12)3-8-17(24)23-18-22-16(10-25-18)14-7-6-13(20)9-15(14)21/h1-10H,(H,22,23,24) |
| InChIK | UFDPSNDIHOIHJB-UHFFFAOYSA-N |
| TotalMolweight | 360.358 |
| Molweight | 360.358 |
| MonoisotopicMass | 360.054417 |
| CLogP | 4.8142 |
| CLogS | -5.951 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 262.24 |
| Relative PSA | 0.2129 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 0.0038913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide