N-[(Z)-(4-chlorophenyl)methylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
Formula:C20H14N3ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine |
| MolecularFormula | C20H14N3ClS |
| Smiles | Clc1ccc(/C=N\Nc2nc(-c3cc4ccccc4cc3)cs2)cc1 |
| InChI | InChI=1S/C20H14ClN3S/c21-18-9-5-14(6-10-18)12-22-24-20-23-19(13-25-20)17-8-7-15-3-1-2-4-16(15)11-17/h1-13H,(H,23,24) |
| InChIK | IVBKWXFLQLNBJA-UHFFFAOYSA-N |
| TotalMolweight | 363.871 |
| Molweight | 363.871 |
| MonoisotopicMass | 363.059694 |
| CLogP | 8.0168 |
| CLogS | -7.002 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 273.72 |
| Relative PSA | 0.19838 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 4.0061 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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