N-[(Z)-furan-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
Formula:C12H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-1,3-benzothiazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C12H9N3OS |
| Smiles | C(c1ccco1)=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C12H9N3OS/c1-2-6-11-10(5-1)14-12(17-11)15-13-8-9-4-3-7-16-9/h1-8H,(H,14,15) |
| InChIK | ZBHZRCBFWSEHBP-UHFFFAOYSA-N |
| TotalMolweight | 243.289 |
| Molweight | 243.289 |
| MonoisotopicMass | 243.046632 |
| CLogP | 4.832 |
| CLogS | -3.798 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 188.23 |
| Relative PSA | 0.36344 |
| PolarSurfaceArea | 78.66 |
| Druglikeness | 2.2983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-furan-2-ylmethylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-furan-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
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