(2Z)-N-anilino-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide
Formula:C17H11N4FS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2Z)-N-anilino-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2Z)-N-anilino-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C17H11N4FS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=N/Nc1ccccc1 |
| InChI | InChI=1S/C17H11FN4S/c18-13-8-6-12(7-9-13)16-11-23-17(20-16)15(10-19)22-21-14-4-2-1-3-5-14/h1-9,11,21H |
| InChIK | SYHRMNUURSKNOU-UHFFFAOYSA-N |
| TotalMolweight | 322.366 |
| Molweight | 322.366 |
| MonoisotopicMass | 322.068844 |
| CLogP | 4.7055 |
| CLogS | -4.779 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.97 |
| Relative PSA | 0.27147 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -1.7199 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2Z)-N-anilino-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide | 2 - (2Z)-N-anilino-4-(4-fluorophenyl)-1,3-thiazole-2-carboximidoyl cyanide
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