4-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
Formula:C15H12N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C15H12N4S |
| Smiles | C(c1cnccc1)=N\Nc1nc(-c2ccccc2)cs1 |
| InChI | InChI=1S/C15H12N4S/c1-2-6-13(7-3-1)14-11-20-15(18-14)19-17-10-12-5-4-8-16-9-12/h1-11H,(H,18,19) |
| InChIK | NKKVRRKNFUAEDW-UHFFFAOYSA-N |
| TotalMolweight | 280.354 |
| Molweight | 280.354 |
| MonoisotopicMass | 280.078266 |
| CLogP | 5.2155 |
| CLogS | -3.865 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.46 |
| Relative PSA | 0.2934 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 3.9981 |
| Mutagenic | none |
| 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 |
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