(5Z)-3-(2-aminophenyl)-5-benzylidene-1,3-thiazolidine-2,4-dione
Formula:C16H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(2-aminophenyl)-5-benzylidene-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(2-aminophenyl)-5-benzylidene-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H12N2O2S |
| Smiles | Nc(cccc1)c1N(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C16H12N2O2S/c17-12-8-4-5-9-13(12)18-15(19)14(21-16(18)20)10-11-6-2-1-3-7-11/h1-10H,17H2 |
| InChIK | GYTFYBVNOAEKIQ-UHFFFAOYSA-N |
| TotalMolweight | 296.349 |
| Molweight | 296.349 |
| MonoisotopicMass | 296.061948 |
| CLogP | 2.5602 |
| CLogS | -4.708 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.04 |
| Relative PSA | 0.28879 |
| PolarSurfaceArea | 88.7 |
| Druglikeness | 3.2062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(2-aminophenyl)-5-benzylidene-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-aminophenyl)-5-benzylidene-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off