(5E)-5-[[(1R)-cyclohex-3-en-1-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H21NOS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[(1R)-cyclohex-3-en-1-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[(1R)-cyclohex-3-en-1-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H21NOS2 |
| Smiles | O=C(/C(/S1)=C\[C@H]2CC=CCC2)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C16H21NOS2/c18-15-14(11-12-7-3-1-4-8-12)20-16(19)17(15)13-9-5-2-6-10-13/h1,3,11-13H,2,4-10H2/t12-/m0/s1 |
| InChIK | MQNBIOYBSHKTFZ-LBPRGKRZSA-N |
| TotalMolweight | 307.481 |
| Molweight | 307.481 |
| MonoisotopicMass | 307.106454 |
| CLogP | 2.9051 |
| CLogS | -4.582 |
| H Acceptors | 2 |
| TotalSurfaceArea | 237.54 |
| Relative PSA | 0.26135 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -6.2717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (5E)-5-[[(1R)-cyclohex-3-en-1-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[(1R)-cyclohex-3-en-1-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off