(5Z)-5-[(4-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
Formula:C15H15N2O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(4-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H15N2O3FS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2F)N(CN2CCOCC2)C1=O |
| InChI | InChI=1S/C15H15FN2O3S/c16-12-3-1-11(2-4-12)9-13-14(19)18(15(20)22-13)10-17-5-7-21-8-6-17/h1-4,9H,5-8,10H2 |
| InChIK | PPZSPQYXFWAOCO-UHFFFAOYSA-N |
| TotalMolweight | 322.359 |
| Molweight | 322.359 |
| MonoisotopicMass | 322.078741 |
| CLogP | 1.5313 |
| CLogS | -3.12 |
| H Acceptors | 5 |
| TotalSurfaceArea | 229.71 |
| Relative PSA | 0.26412 |
| PolarSurfaceArea | 75.15 |
| Druglikeness | 2.6368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(4-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(4-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off