N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-1-carbothioamide
Formula:C12H16N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-1-carbothioamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]piperidine-1-carbothioamide |
| MolecularFormula | C12H16N4S |
| Smiles | S=C(N/N=C\c1ncccc1)N1CCCCC1 |
| InChI | InChI=1S/C12H16N4S/c17-12(16-8-4-1-5-9-16)15-14-10-11-6-2-3-7-13-11/h2-3,6-7,10H,1,4-5,8-9H2,(H,15,17) |
| InChIK | SLOCYEFBRCHUHA-UHFFFAOYSA-N |
| TotalMolweight | 248.353 |
| Molweight | 248.353 |
| MonoisotopicMass | 248.109566 |
| CLogP | 2.3361 |
| CLogS | -2.637 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.55 |
| Relative PSA | 0.31707 |
| PolarSurfaceArea | 72.61 |
| Druglikeness | 2.3967 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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