N-[(Z)-3-phenylpropylideneamino]-1,3-benzothiazol-2-amine
Formula:C16H15N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3-phenylpropylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-3-phenylpropylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C16H15N3S |
| Smiles | C(Cc1ccccc1)/C=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C16H15N3S/c1-2-7-13(8-3-1)9-6-12-17-19-16-18-14-10-4-5-11-15(14)20-16/h1-5,7-8,10-12H,6,9H2,(H,18,19) |
| InChIK | KALQSNWOUQWIQS-UHFFFAOYSA-N |
| TotalMolweight | 281.382 |
| Molweight | 281.382 |
| MonoisotopicMass | 281.098667 |
| CLogP | 5.7849 |
| CLogS | -4.273 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 226.06 |
| Relative PSA | 0.2402 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 1.3844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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