(5E)-3-(anilinomethyl)-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H13N2OFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(anilinomethyl)-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(anilinomethyl)-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H13N2OFS2 |
| Smiles | O=C(/C(/S1)=C\c2cc(F)ccc2)N(CNc2ccccc2)C1=S |
| InChI | InChI=1S/C17H13FN2OS2/c18-13-6-4-5-12(9-13)10-15-16(21)20(17(22)23-15)11-19-14-7-2-1-3-8-14/h1-10,19H,11H2 |
| InChIK | GQHBTSIEOWHLNI-UHFFFAOYSA-N |
| TotalMolweight | 344.433 |
| Molweight | 344.433 |
| MonoisotopicMass | 344.045331 |
| CLogP | 2.6593 |
| CLogS | -5.273 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 254.05 |
| Relative PSA | 0.28947 |
| PolarSurfaceArea | 89.73 |
| Druglikeness | 1.9877 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(anilinomethyl)-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(anilinomethyl)-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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