N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine
Formula:C17H13N3O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-amine |
| MolecularFormula | C17H13N3O2S |
| Smiles | C1Oc(cc(/C=N\Nc2nc(-c3ccccc3)cs2)cc2)c2O1 |
| InChI | InChI=1S/C17H13N3O2S/c1-2-4-13(5-3-1)14-10-23-17(19-14)20-18-9-12-6-7-15-16(8-12)22-11-21-15/h1-10H,11H2,(H,19,20) |
| InChIK | GLSOCYVLFIABDC-UHFFFAOYSA-N |
| TotalMolweight | 323.375 |
| Molweight | 323.375 |
| MonoisotopicMass | 323.072847 |
| CLogP | 6.3278 |
| CLogS | -5.371 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.96 |
| Relative PSA | 0.30456 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | 3.7173 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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