(5E)-3-[(2-iodoanilino)methyl]-5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H12N2OI2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(2-iodoanilino)methyl]-5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-3-[(2-iodoanilino)methyl]-5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H12N2OI2S2 |
| Smiles | O=C(/C(/S1)=C\c(cc2)ccc2I)N(CNc(cccc2)c2I)C1=S |
| InChI | InChI=1S/C17H12I2N2OS2/c18-12-7-5-11(6-8-12)9-15-16(22)21(17(23)24-15)10-20-14-4-2-1-3-13(14)19/h1-9,20H,10H2 |
| InChIK | QARUZLIOVWBALU-UHFFFAOYSA-N |
| TotalMolweight | 578.227 |
| Molweight | 578.227 |
| MonoisotopicMass | 577.848049 |
| CLogP | 3.4327 |
| CLogS | -6.991 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 300.26 |
| Relative PSA | 0.24492 |
| PolarSurfaceArea | 89.73 |
| Druglikeness | 3.8027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.625 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-[(2-iodoanilino)methyl]-5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-[(2-iodoanilino)methyl]-5-[(4-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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