4,5-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
Formula:C20H15N3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4,5-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4,5-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C20H15N3S2 |
| Smiles | C(c1cccs1)=N\Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 |
| InChI | InChI=1S/C20H15N3S2/c1-3-8-15(9-4-1)18-19(16-10-5-2-6-11-16)25-20(22-18)23-21-14-17-12-7-13-24-17/h1-14H,(H,22,23) |
| InChIK | MECXYEXIPOPLNC-UHFFFAOYSA-N |
| TotalMolweight | 361.492 |
| Molweight | 361.492 |
| MonoisotopicMass | 361.070737 |
| CLogP | 7.9813 |
| CLogS | -6.777 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 279.4 |
| Relative PSA | 0.26722 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 4.5365 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4,5-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine | 2 - 4,5-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off