(Z)-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
Formula:C22H15N4F3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine |
| MolecularFormula | C22H15N4F3S |
| Smiles | FC(c(cccc1)c1/N=C1\SC=C(c2ccccc2)N1/N=C\c1ncccc1)(F)F |
| InChI | InChI=1S/C22H15F3N4S/c23-22(24,25)18-11-4-5-12-19(18)28-21-29(27-14-17-10-6-7-13-26-17)20(15-30-21)16-8-2-1-3-9-16/h1-15H |
| InChIK | MHPIHPKLIMSSHJ-UHFFFAOYSA-N |
| TotalMolweight | 424.449 |
| Molweight | 424.449 |
| MonoisotopicMass | 424.09695 |
| CLogP | 5.2655 |
| CLogS | -5.641 |
| H Acceptors | 4 |
| TotalSurfaceArea | 307.73 |
| Relative PSA | 0.17883 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | -3.1852 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine | 2 - (Z)-4-phenyl-3-[(Z)-pyridin-2-ylmethylideneamino]-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
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