4-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine
Formula:C15H12N4S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
4-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C15H12N4S |
| Smiles | C(c1ncccc1)=N/Nc1nc(-c2ccccc2)cs1 |
| InChI | InChI=1S/C15H12N4S/c1-2-6-12(7-3-1)14-11-20-15(18-14)19-17-10-13-8-4-5-9-16-13/h1-11H,(H,18,19) |
| InChIK | JTHIWSXJCFHERN-UHFFFAOYSA-N |
| TotalMolweight | 280.354 |
| Molweight | 280.354 |
| MonoisotopicMass | 280.078266 |
| CLogP | 5.2695 |
| CLogS | -3.889 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.46 |
| Relative PSA | 0.2934 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 3.9981 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine | 2 - 4-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off