(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H18N2OS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H18N2OS2 |
| Smiles | CN(C)c1ccc(/C=C/C=C(\C(N2CC=C)=O)/SC2=S)cc1 |
| InChI | InChI=1S/C17H18N2OS2/c1-4-12-19-16(20)15(22-17(19)21)7-5-6-13-8-10-14(11-9-13)18(2)3/h4-11H,1,12H2,2-3H3/b6-5+,15-7+ |
| InChIK | QHHHHHYCNPUZFY-CSNJMMPQSA-N |
| TotalMolweight | 330.475 |
| Molweight | 330.475 |
| MonoisotopicMass | 330.086053 |
| CLogP | 2.6253 |
| CLogS | -3.995 |
| H Acceptors | 3 |
| TotalSurfaceArea | 262.34 |
| Relative PSA | 0.25017 |
| PolarSurfaceArea | 80.94 |
| Druglikeness | 2.2953 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
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