N-[(Z)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
Formula:C13H10N4S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C13H10N4S |
| Smiles | C(c1ncccc1)=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C13H10N4S/c1-2-7-12-11(6-1)16-13(18-12)17-15-9-10-5-3-4-8-14-10/h1-9H,(H,16,17) |
| InChIK | RJWORGFBUGFUNZ-UHFFFAOYSA-N |
| TotalMolweight | 254.316 |
| Molweight | 254.316 |
| MonoisotopicMass | 254.062616 |
| CLogP | 4.6964 |
| CLogS | -3.345 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 197.3 |
| Relative PSA | 0.33082 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 2.6111 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
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