(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
Formula:C16H16N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H16N2O2Cl2S |
| Smiles | O=C(/C(/S1)=C/c(c(Cl)ccc2)c2Cl)N(CN2CCCCC2)C1=O |
| InChI | InChI=1S/C16H16Cl2N2O2S/c17-12-5-4-6-13(18)11(12)9-14-15(21)20(16(22)23-14)10-19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10H2 |
| InChIK | KWNFFALSFBDKBR-UHFFFAOYSA-N |
| TotalMolweight | 371.287 |
| Molweight | 371.287 |
| MonoisotopicMass | 370.030952 |
| CLogP | 3.8065 |
| CLogS | -5.167 |
| H Acceptors | 4 |
| TotalSurfaceArea | 257.96 |
| Relative PSA | 0.19643 |
| PolarSurfaceArea | 65.92 |
| Druglikeness | 3.1933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off