(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C20H25N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C20H25N3O4S |
| Smiles | O=C(CN(C(/C(/S1)=C/c2ccc(N3CCCCC3)o2)=O)C1=O)N1CCCCC1 |
| InChI | InChI=1S/C20H25N3O4S/c24-17(21-9-3-1-4-10-21)14-23-19(25)16(28-20(23)26)13-15-7-8-18(27-15)22-11-5-2-6-12-22/h7-8,13H,1-6,9-12,14H2 |
| InChIK | WVIVHJLTFLFRKO-UHFFFAOYSA-N |
| TotalMolweight | 403.501 |
| Molweight | 403.501 |
| MonoisotopicMass | 403.156577 |
| CLogP | 2.5986 |
| CLogS | -4.347 |
| H Acceptors | 7 |
| TotalSurfaceArea | 300.16 |
| Relative PSA | 0.27109 |
| PolarSurfaceArea | 99.37 |
| Druglikeness | 4.043 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
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