5-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine
Formula:C17H9N3Cl3F3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 5-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine |
| MolecularFormula | C17H9N3Cl3F3S |
| Smiles | FC(c1c(-c(cc2)ccc2Cl)sc(N/N=C\c(ccc(Cl)c2)c2Cl)n1)(F)F |
| InChI | InChI=1S/C17H9Cl3F3N3S/c18-11-4-1-9(2-5-11)14-15(17(21,22)23)25-16(27-14)26-24-8-10-3-6-12(19)7-13(10)20/h1-8H,(H,25,26) |
| InChIK | PGYFFMRRYBSKIO-UHFFFAOYSA-N |
| TotalMolweight | 450.698 |
| Molweight | 450.698 |
| MonoisotopicMass | 448.953482 |
| CLogP | 9.0848 |
| CLogS | -7.999 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 299.42 |
| Relative PSA | 0.18135 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -3.2668 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine | 2 - 5-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine
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