| MolName | (Z)-5-(3,4-difluorophenyl)-N-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine |
| MolecularFormula | C21H12N3F5S |
| Smiles | FC(c1cccc(N(C=C(c(cc2)cc(F)c2F)S2)/C2=N/c2ncccc2)c1)(F)F |
| InChI | InChI=1S/C21H12F5N3S/c22-16-8-7-13(10-17(16)23)18-12-29(15-5-3-4-14(11-15)21(24,25)26)20(30-18)28-19-6-1-2-9-27-19/h1-12H |
| InChIK | GOJNSVSMEDRCQQ-UHFFFAOYSA-N |
| TotalMolweight | 433.403 |
| Molweight | 433.403 |
| MonoisotopicMass | 433.067207 |
| CLogP | 5.4349 |
| CLogS | -5.644 |
| H Acceptors | 3 |
| TotalSurfaceArea | 295.67 |
| Relative PSA | 0.14719 |
| PolarSurfaceArea | 53.79 |
| Druglikeness | -5.3572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-5-(3,4-difluorophenyl)-N-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine | 2 - (Z)-5-(3,4-difluorophenyl)-N-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine