N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine
Formula:C11H7N3ClF3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine |
| MolecularFormula | C11H7N3ClF3S |
| Smiles | FC(c1csc(N/N=C\c(cccc2)c2Cl)n1)(F)F |
| InChI | InChI=1S/C11H7ClF3N3S/c12-8-4-2-1-3-7(8)5-16-18-10-17-9(6-19-10)11(13,14)15/h1-6H,(H,17,18) |
| InChIK | ZWXHVYWKWUTFSU-UHFFFAOYSA-N |
| TotalMolweight | 305.711 |
| Molweight | 305.711 |
| MonoisotopicMass | 305.000128 |
| CLogP | 5.9745 |
| CLogS | -4.42 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 208.82 |
| Relative PSA | 0.26003 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -3.1839 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)-1,3-thiazol-2-amine
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