(2E)-4-phenyl-N-[2-(trifluoromethyl)anilino]-1,3-thiazole-2-carboximidoyl cyanide
Formula:C18H11N4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-4-phenyl-N-[2-(trifluoromethyl)anilino]-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2E)-4-phenyl-N-[2-(trifluoromethyl)anilino]-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C18H11N4F3S |
| Smiles | N#C/C(/c1nc(-c2ccccc2)cs1)=N\Nc1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C18H11F3N4S/c19-18(20,21)13-8-4-5-9-14(13)24-25-15(10-22)17-23-16(11-26-17)12-6-2-1-3-7-12/h1-9,11,24H |
| InChIK | OPZHYLBIJYIYCO-UHFFFAOYSA-N |
| TotalMolweight | 372.373 |
| Molweight | 372.373 |
| MonoisotopicMass | 372.06565 |
| CLogP | 5.453 |
| CLogS | -5.243 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.08 |
| Relative PSA | 0.2485 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -7.5699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-4-phenyl-N-[2-(trifluoromethyl)anilino]-1,3-thiazole-2-carboximidoyl cyanide | 2 - (2E)-4-phenyl-N-[2-(trifluoromethyl)anilino]-1,3-thiazole-2-carboximidoyl cyanide
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