(1Z)-N-anilino-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanimidoyl cyanide
Formula:C17H11N5OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1Z)-N-anilino-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-anilino-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanimidoyl cyanide |
| MolecularFormula | C17H11N5OS |
| Smiles | N#C/C(/C(c1csc(-c2cnccc2)n1)=O)=N/Nc1ccccc1 |
| InChI | InChI=1S/C17H11N5OS/c18-9-14(22-21-13-6-2-1-3-7-13)16(23)15-11-24-17(20-15)12-5-4-8-19-10-12/h1-8,10-11,21H |
| InChIK | CYURHSKULDABDF-UHFFFAOYSA-N |
| TotalMolweight | 333.374 |
| Molweight | 333.374 |
| MonoisotopicMass | 333.06843 |
| CLogP | 3.134 |
| CLogS | -3.135 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.13 |
| Relative PSA | 0.35317 |
| PolarSurfaceArea | 119.27 |
| Druglikeness | 0.71269 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (1Z)-N-anilino-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanimidoyl cyanide | 2 - (1Z)-N-anilino-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanimidoyl cyanide
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