4-(4-fluorophenyl)-N-pyridin-3-yl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-3-ium-2-amine
Formula:C19H14N4FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-fluorophenyl)-N-pyridin-3-yl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-3-ium-2-amine is a drug-like molecule.
| MolName | 4-(4-fluorophenyl)-N-pyridin-3-yl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-3-ium-2-amine |
| MolecularFormula | C19H14N4FS2 |
| Smiles | Fc(cc1)ccc1-c1csc(Nc2cnccc2)[n+]1/N=C\c1cscc1 |
| InChI | InChI=1S/C19H13FN4S2/c20-16-5-3-15(4-6-16)18-13-26-19(23-17-2-1-8-21-11-17)24(18)22-10-14-7-9-25-12-14/h1-13H/p+1 |
| InChIK | GYGOOUCKQNWSHX-UHFFFAOYSA-O |
| TotalMolweight | 381.478 |
| Molweight | 381.478 |
| MonoisotopicMass | 381.064389 |
| CLogP | 4.1288 |
| CLogS | -7.868 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.05 |
| Relative PSA | 0.27352 |
| PolarSurfaceArea | 97.64 |
| Druglikeness | -0.765 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-(4-fluorophenyl)-N-pyridin-3-yl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-3-ium-2-amine | 2 - 4-(4-fluorophenyl)-N-pyridin-3-yl-3-[(Z)-thiophen-3-ylmethylideneamino]-1,3-thiazol-3-ium-2-amine
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