(5Z)-3-[(2-chloroanilino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H12N2OClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(2-chloroanilino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(2-chloroanilino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H12N2OClFS2 |
| Smiles | O=C(/C(/S1)=C/c2cc(F)ccc2)N(CNc(cccc2)c2Cl)C1=S |
| InChI | InChI=1S/C17H12ClFN2OS2/c18-13-6-1-2-7-14(13)20-10-21-16(22)15(24-17(21)23)9-11-4-3-5-12(19)8-11/h1-9,20H,10H2 |
| InChIK | LXHCFZUUWJJSOV-UHFFFAOYSA-N |
| TotalMolweight | 378.878 |
| Molweight | 378.878 |
| MonoisotopicMass | 378.006358 |
| CLogP | 3.2653 |
| CLogS | -6.009 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 269.47 |
| Relative PSA | 0.27291 |
| PolarSurfaceArea | 89.73 |
| Druglikeness | 2.0452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-[(2-chloroanilino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[(2-chloroanilino)methyl]-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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