| MolName | (Z)-N-benzyl-4-(4-fluorophenyl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C22H17N4FS |
| Smiles | Fc(cc1)ccc1C(N1/N=C\c2cnccc2)=CS/C1=N\Cc1ccccc1 |
| InChI | InChI=1S/C22H17FN4S/c23-20-10-8-19(9-11-20)21-16-28-22(25-14-17-5-2-1-3-6-17)27(21)26-15-18-7-4-12-24-13-18/h1-13,15-16H,14H2 |
| InChIK | KWEJZKOJFBIELL-UHFFFAOYSA-N |
| TotalMolweight | 388.469 |
| Molweight | 388.469 |
| MonoisotopicMass | 388.115794 |
| CLogP | 4.568 |
| CLogS | -5.314 |
| H Acceptors | 4 |
| TotalSurfaceArea | 298.38 |
| Relative PSA | 0.18443 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | 3.2424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-benzyl-4-(4-fluorophenyl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-N-benzyl-4-(4-fluorophenyl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine