4-(2,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C16H9N3Cl4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(2,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(2,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C16H9N3Cl4S |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(-c(ccc(Cl)c3)c3Cl)cs2)cc1 |
| InChI | InChI=1S/C16H9Cl4N3S/c17-10-2-1-9(13(19)5-10)7-21-23-16-22-15(8-24-16)12-4-3-11(18)6-14(12)20/h1-8H,(H,22,23) |
| InChIK | IYTWSELXJVPDJZ-UHFFFAOYSA-N |
| TotalMolweight | 417.146 |
| Molweight | 417.146 |
| MonoisotopicMass | 414.927125 |
| CLogP | 8.6404 |
| CLogS | -7.604 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 285.38 |
| Relative PSA | 0.19027 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 4.0061 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 - 4-(2,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-(2,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
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