N-[(Z)-cyclohexylmethylideneamino]-1,3-benzothiazol-2-amine
Formula:C14H17N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-cyclohexylmethylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-cyclohexylmethylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C14H17N3S |
| Smiles | C(CC1)CCC1/C=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C14H17N3S/c1-2-6-11(7-3-1)10-15-17-14-16-12-8-4-5-9-13(12)18-14/h4-5,8-11H,1-3,6-7H2,(H,16,17) |
| InChIK | DGSNCZVLXSHUBA-UHFFFAOYSA-N |
| TotalMolweight | 259.376 |
| Molweight | 259.376 |
| MonoisotopicMass | 259.114317 |
| CLogP | 5.2327 |
| CLogS | -4.194 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 206.58 |
| Relative PSA | 0.26285 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -2.248 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-cyclohexylmethylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-cyclohexylmethylideneamino]-1,3-benzothiazol-2-amine
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