N-[(Z)-(5-cyclopent-2-en-1-ylthiophen-2-yl)methylideneamino]pyridin-2-amine
Formula:C15H15N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-cyclopent-2-en-1-ylthiophen-2-yl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(5-cyclopent-2-en-1-ylthiophen-2-yl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C15H15N3S |
| Smiles | C(CC=C1)C1c1ccc(/C=N\Nc2ncccc2)s1 |
| InChI | InChI=1S/C15H15N3S/c1-2-6-12(5-1)14-9-8-13(19-14)11-17-18-15-7-3-4-10-16-15/h1,3-5,7-12H,2,6H2,(H,16,18)/t12-/m1/s1 |
| InChIK | SLMMWEDDSLGLIO-GFCCVEGCSA-N |
| TotalMolweight | 269.371 |
| Molweight | 269.371 |
| MonoisotopicMass | 269.098667 |
| CLogP | 5.6596 |
| CLogS | -4.268 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 216.96 |
| Relative PSA | 0.25028 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 0.3725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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