N-[(Z)-benzylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
Formula:C22H17N3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-benzylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C22H17N3S |
| Smiles | C(c1ccccc1)=N\Nc1nc(-c(cc2)ccc2-c2ccccc2)cs1 |
| InChI | InChI=1S/C22H17N3S/c1-3-7-17(8-4-1)15-23-25-22-24-21(16-26-22)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-16H,(H,24,25) |
| InChIK | KXNUBVXXLTXHGU-UHFFFAOYSA-N |
| TotalMolweight | 355.464 |
| Molweight | 355.464 |
| MonoisotopicMass | 355.114317 |
| CLogP | 7.8756 |
| CLogS | -6.746 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 283.46 |
| Relative PSA | 0.19156 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.9981 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-benzylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
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