(Z)-4-(2-chlorophenyl)-N-(2-fluorophenyl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C21H14N4ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(2-chlorophenyl)-N-(2-fluorophenyl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(2-chlorophenyl)-N-(2-fluorophenyl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C21H14N4ClFS |
| Smiles | Fc(cccc1)c1/N=C1\SC=C(c(cccc2)c2Cl)N1/N=C\c1cnccc1 |
| InChI | InChI=1S/C21H14ClFN4S/c22-17-8-2-1-7-16(17)20-14-28-21(26-19-10-4-3-9-18(19)23)27(20)25-13-15-6-5-11-24-12-15/h1-14H |
| InChIK | XTXCXTGSHXKEMA-UHFFFAOYSA-N |
| TotalMolweight | 408.887 |
| Molweight | 408.887 |
| MonoisotopicMass | 408.061171 |
| CLogP | 5.07 |
| CLogS | -5.889 |
| H Acceptors | 4 |
| TotalSurfaceArea | 300.04 |
| Relative PSA | 0.18341 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | 2.6726 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-(2-chlorophenyl)-N-(2-fluorophenyl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(2-chlorophenyl)-N-(2-fluorophenyl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
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