(1E)-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide
Formula:C18H10N5OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide |
| MolecularFormula | C18H10N5OF3S |
| Smiles | N#C/C(/C(c1csc(-c2cnccc2)n1)=O)=N\Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C18H10F3N5OS/c19-18(20,21)12-4-1-5-13(7-12)25-26-14(8-22)16(27)15-10-28-17(24-15)11-3-2-6-23-9-11/h1-7,9-10,25H |
| InChIK | VPVPMIHIQLCYFF-UHFFFAOYSA-N |
| TotalMolweight | 401.371 |
| Molweight | 401.371 |
| MonoisotopicMass | 401.055814 |
| CLogP | 3.9823 |
| CLogS | -3.913 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.59 |
| Relative PSA | 0.31724 |
| PolarSurfaceArea | 119.27 |
| Druglikeness | -6.4773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (1E)-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide | 2 - (1E)-2-oxo-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide
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