(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
Formula:C15H15N2O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H15N2O3BrS2 |
| Smiles | O=C(CN(C(/C(/S1)=C/c(s2)ccc2Br)=O)C1=O)N1CCCCC1 |
| InChI | InChI=1S/C15H15BrN2O3S2/c16-12-5-4-10(22-12)8-11-14(20)18(15(21)23-11)9-13(19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2 |
| InChIK | HMUHIXALBBZUPR-UHFFFAOYSA-N |
| TotalMolweight | 415.331 |
| Molweight | 415.331 |
| MonoisotopicMass | 413.970744 |
| CLogP | 3.022 |
| CLogS | -4.009 |
| H Acceptors | 5 |
| TotalSurfaceArea | 259.44 |
| Relative PSA | 0.32404 |
| PolarSurfaceArea | 111.23 |
| Druglikeness | -0.10785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(5-bromothiophen-2-yl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
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