N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
Formula:C16H9N3Cl3FS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C16H9N3Cl3FS |
| Smiles | Fc1cccc(Cl)c1/C=N\Nc1nc(-c(ccc(Cl)c2)c2Cl)cs1 |
| InChI | InChI=1S/C16H9Cl3FN3S/c17-9-4-5-10(13(19)6-9)15-8-24-16(22-15)23-21-7-11-12(18)2-1-3-14(11)20/h1-8H,(H,22,23) |
| InChIK | MOXVVMQXKIZUME-UHFFFAOYSA-N |
| TotalMolweight | 400.691 |
| Molweight | 400.691 |
| MonoisotopicMass | 398.956676 |
| CLogP | 8.1352 |
| CLogS | -7.182 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 276.31 |
| Relative PSA | 0.19652 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.6661 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
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