(Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C24H20N4OF2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
(Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C24H20N4OF2S |
| Smiles | FC(Oc(cc1)ccc1C(N1/N=C\c2ncccc2)=CS/C1=N\CCc1ccccc1)F |
| InChI | InChI=1S/C24H20F2N4OS/c25-23(26)31-21-11-9-19(10-12-21)22-17-32-24(28-15-13-18-6-2-1-3-7-18)30(22)29-16-20-8-4-5-14-27-20/h1-12,14,16-17,23H,13,15H2 |
| InChIK | SMVWWQPWEGGCDS-UHFFFAOYSA-N |
| TotalMolweight | 450.512 |
| Molweight | 450.512 |
| MonoisotopicMass | 450.132587 |
| CLogP | 5.1207 |
| CLogS | -5.758 |
| H Acceptors | 5 |
| TotalSurfaceArea | 340.99 |
| Relative PSA | 0.19071 |
| PolarSurfaceArea | 75.38 |
| Druglikeness | 1.7358 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-[4-(difluoromethoxy)phenyl]-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
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