(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H14N2O2S2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H14N2O2S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2N2CCOCC2)NC1=S |
| InChI | InChI=1S/C14H14N2O2S2/c17-13-12(20-14(19)15-13)9-10-1-3-11(4-2-10)16-5-7-18-8-6-16/h1-4,9H,5-8H2,(H,15,17,19) |
| InChIK | GSOZCFRSMTYPLM-UHFFFAOYSA-N |
| TotalMolweight | 306.409 |
| Molweight | 306.409 |
| MonoisotopicMass | 306.049668 |
| CLogP | 0.8132 |
| CLogS | -3.603 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 225.72 |
| Relative PSA | 0.3701 |
| PolarSurfaceArea | 98.96 |
| Druglikeness | 3.4797 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off