N-[(Z)-benzylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
Formula:C22H17N3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-benzylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine |
| MolecularFormula | C22H17N3S |
| Smiles | C(c1ccccc1)=N\Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 |
| InChI | InChI=1S/C22H17N3S/c1-4-10-17(11-5-1)16-23-25-22-24-20(18-12-6-2-7-13-18)21(26-22)19-14-8-3-9-15-19/h1-16H,(H,24,25) |
| InChIK | RRRGIUVZGMIXAB-UHFFFAOYSA-N |
| TotalMolweight | 355.464 |
| Molweight | 355.464 |
| MonoisotopicMass | 355.114317 |
| CLogP | 8.1147 |
| CLogS | -6.767 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 283.46 |
| Relative PSA | 0.19156 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.9131 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| 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 |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine | 2 - N-[(Z)-benzylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off