N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine
Formula:C19H18N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine |
| MolecularFormula | C19H18N4S2 |
| Smiles | C(CC1)CC(/C=N\Nc2ncccc2)=C1Sc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C19H18N4S2/c1-3-9-16(24-19-22-15-8-2-4-10-17(15)25-19)14(7-1)13-21-23-18-11-5-6-12-20-18/h2,4-6,8,10-13H,1,3,7,9H2,(H,20,23) |
| InChIK | OQHXIWPBKAZJAG-UHFFFAOYSA-N |
| TotalMolweight | 366.512 |
| Molweight | 366.512 |
| MonoisotopicMass | 366.097286 |
| CLogP | 6.0248 |
| CLogS | -5.531 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 279.25 |
| Relative PSA | 0.29637 |
| PolarSurfaceArea | 103.71 |
| Druglikeness | -1.3412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine | 2 - N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine
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