4-phenyl-N-[(Z)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C16H10N3Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-phenyl-N-[(Z)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-phenyl-N-[(Z)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C16H10N3Cl3S |
| Smiles | Clc(cc1)c(/C=N\Nc2nc(-c3ccccc3)cs2)c(Cl)c1Cl |
| InChI | InChI=1S/C16H10Cl3N3S/c17-12-6-7-13(18)15(19)11(12)8-20-22-16-21-14(9-23-16)10-4-2-1-3-5-10/h1-9H,(H,21,22) |
| InChIK | OBTHVHTWXGJYFS-UHFFFAOYSA-N |
| TotalMolweight | 382.701 |
| Molweight | 382.701 |
| MonoisotopicMass | 380.966098 |
| CLogP | 8.0344 |
| CLogS | -6.868 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.96 |
| Relative PSA | 0.20114 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 4.0061 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-phenyl-N-[(Z)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-phenyl-N-[(Z)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
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