(2E)-N-anilino-1,3-benzothiazole-2-carboximidoyl cyanide
Formula:C15H10N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-N-anilino-1,3-benzothiazole-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2E)-N-anilino-1,3-benzothiazole-2-carboximidoyl cyanide |
| MolecularFormula | C15H10N4S |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C15H10N4S/c16-10-13(19-18-11-6-2-1-3-7-11)15-17-12-8-4-5-9-14(12)20-15/h1-9,18H |
| InChIK | LXGYDCCPENBREL-UHFFFAOYSA-N |
| TotalMolweight | 278.338 |
| Molweight | 278.338 |
| MonoisotopicMass | 278.062616 |
| CLogP | 4.0316 |
| CLogS | -3.921 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 218.46 |
| Relative PSA | 0.31063 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -1.7925 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-N-anilino-1,3-benzothiazole-2-carboximidoyl cyanide | 2 - (2E)-N-anilino-1,3-benzothiazole-2-carboximidoyl cyanide
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