(Z)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
Formula:C22H14N4ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine |
| MolecularFormula | C22H14N4ClF3S |
| Smiles | FC(c1cccc(C(N2/N=C\c3ccncc3)=CS/C2=N\c(cccc2)c2Cl)c1)(F)F |
| InChI | InChI=1S/C22H14ClF3N4S/c23-18-6-1-2-7-19(18)29-21-30(28-13-15-8-10-27-11-9-15)20(14-31-21)16-4-3-5-17(12-16)22(24,25)26/h1-14H |
| InChIK | UWEXRBJGRNCHCW-UHFFFAOYSA-N |
| TotalMolweight | 458.894 |
| Molweight | 458.894 |
| MonoisotopicMass | 458.057977 |
| CLogP | 5.8175 |
| CLogS | -6.353 |
| H Acceptors | 4 |
| TotalSurfaceArea | 323.15 |
| Relative PSA | 0.17029 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | -3.1774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine | 2 - (Z)-N-(2-chlorophenyl)-3-[(Z)-pyridin-4-ylmethylideneamino]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
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