(5E)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C14H16N2OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C14H16N2OS3 |
| Smiles | O=C(/C(/S1)=C\c2cccs2)N(CN2CCCCC2)C1=S |
| InChI | InChI=1S/C14H16N2OS3/c17-13-12(9-11-5-4-8-19-11)20-14(18)16(13)10-15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7,10H2 |
| InChIK | ZEIKYPLXXPQQBF-UHFFFAOYSA-N |
| TotalMolweight | 324.492 |
| Molweight | 324.492 |
| MonoisotopicMass | 324.042473 |
| CLogP | 2.1159 |
| CLogS | -4.056 |
| H Acceptors | 3 |
| TotalSurfaceArea | 238.02 |
| Relative PSA | 0.36127 |
| PolarSurfaceArea | 109.18 |
| Druglikeness | 3.192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (5E)-3-(piperidin-1-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off