2-sulfanylidene-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazolidin-4-one
Formula:C11H7N2OF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-sulfanylidene-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 2-sulfanylidene-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazolidin-4-one |
| MolecularFormula | C11H7N2OF3S2 |
| Smiles | O=C(CSC1=S)N1/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C11H7F3N2OS2/c12-11(13,14)8-3-1-7(2-4-8)5-15-16-9(17)6-19-10(16)18/h1-5H,6H2 |
| InChIK | NUVCOIHPQHLFHQ-UHFFFAOYSA-N |
| TotalMolweight | 304.316 |
| Molweight | 304.316 |
| MonoisotopicMass | 303.995187 |
| CLogP | 1.7901 |
| CLogS | -4.043 |
| H Acceptors | 3 |
| TotalSurfaceArea | 205.99 |
| Relative PSA | 0.35725 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | -3.4053 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-sulfanylidene-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazolidin-4-one | 2 - 2-sulfanylidene-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off