N-[(Z)-quinolin-3-ylmethylideneamino]-1,3-benzothiazol-2-amine
Formula:C17H12N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-quinolin-3-ylmethylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-quinolin-3-ylmethylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C17H12N4S |
| Smiles | C(c1cc2ccccc2nc1)=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C17H12N4S/c1-2-6-14-13(5-1)9-12(10-18-14)11-19-21-17-20-15-7-3-4-8-16(15)22-17/h1-11H,(H,20,21) |
| InChIK | MHSNYYMYTMTCJH-UHFFFAOYSA-N |
| TotalMolweight | 304.376 |
| Molweight | 304.376 |
| MonoisotopicMass | 304.078266 |
| CLogP | 5.9593 |
| CLogS | -4.822 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.9 |
| Relative PSA | 0.28146 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 2.6111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-quinolin-3-ylmethylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-quinolin-3-ylmethylideneamino]-1,3-benzothiazol-2-amine
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