4-pyridin-3-yl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
Formula:C14H11N5S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-pyridin-3-yl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is a drug-like molecule.
| MolName | 4-pyridin-3-yl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C14H11N5S |
| Smiles | C(c1cnccc1)=N\Nc1nc(-c2cnccc2)cs1 |
| InChI | InChI=1S/C14H11N5S/c1-3-11(7-15-5-1)8-17-19-14-18-13(10-20-14)12-4-2-6-16-9-12/h1-10H,(H,18,19) |
| InChIK | DIIYANYDYYJPEY-UHFFFAOYSA-N |
| TotalMolweight | 281.342 |
| Molweight | 281.342 |
| MonoisotopicMass | 281.073515 |
| CLogP | 4.2146 |
| CLogS | -3.07 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.22 |
| Relative PSA | 0.34463 |
| PolarSurfaceArea | 91.3 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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