(2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C15H12N3OFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C15H12N3OFS2 |
| Smiles | O=C(CS1)N(Cc(cc2)ccc2F)/C1=N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H12FN3OS2/c16-12-5-3-11(4-6-12)9-19-14(20)10-22-15(19)18-17-8-13-2-1-7-21-13/h1-8H,9-10H2 |
| InChIK | BPDBWAAXXDZYBR-UHFFFAOYSA-N |
| TotalMolweight | 333.41 |
| Molweight | 333.41 |
| MonoisotopicMass | 333.04058 |
| CLogP | 4.2071 |
| CLogS | -4.796 |
| H Acceptors | 4 |
| TotalSurfaceArea | 242.6 |
| Relative PSA | 0.31929 |
| PolarSurfaceArea | 98.57 |
| Druglikeness | 5.0887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2Z)-3-[(4-fluorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
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