N-[(Z)-(2-bromophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
Formula:C22H16N3BrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine |
| MolecularFormula | C22H16N3BrS |
| Smiles | Brc1c(/C=N\Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cccc1 |
| InChI | InChI=1S/C22H16BrN3S/c23-19-14-8-7-13-18(19)15-24-26-22-25-20(16-9-3-1-4-10-16)21(27-22)17-11-5-2-6-12-17/h1-15H,(H,25,26) |
| InChIK | KGCMVMOWRIKSQC-UHFFFAOYSA-N |
| TotalMolweight | 434.36 |
| Molweight | 434.36 |
| MonoisotopicMass | 433.024828 |
| CLogP | 8.8399 |
| CLogS | -7.601 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 302.09 |
| Relative PSA | 0.17975 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 2.1231 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-bromophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off