(Z)-N-benzyl-4-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C22H18N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzyl-4-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-N-benzyl-4-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C22H18N4S |
| Smiles | C(c1ccccc1)/N=C1\SC=C(c2ccccc2)N1/N=C\c1cnccc1 |
| InChI | InChI=1S/C22H18N4S/c1-3-8-18(9-4-1)15-24-22-26(25-16-19-10-7-13-23-14-19)21(17-27-22)20-11-5-2-6-12-20/h1-14,16-17H,15H2 |
| InChIK | PFWCGUUBLYVLAX-UHFFFAOYSA-N |
| TotalMolweight | 370.479 |
| Molweight | 370.479 |
| MonoisotopicMass | 370.125216 |
| CLogP | 4.4672 |
| CLogS | -5 |
| H Acceptors | 4 |
| TotalSurfaceArea | 292.03 |
| Relative PSA | 0.18844 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | 4.5824 |
| Mutagenic | none |
| Tumorigenic | none |
| 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 | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-benzyl-4-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-N-benzyl-4-phenyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off