(5E)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C13H14N2O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C13H14N2O2S3 |
| Smiles | O=C(/C(/S1)=C\c2cccs2)N(CN2CCOCC2)C1=S |
| InChI | InChI=1S/C13H14N2O2S3/c16-12-11(8-10-2-1-7-19-10)20-13(18)15(12)9-14-3-5-17-6-4-14/h1-2,7-8H,3-6,9H2 |
| InChIK | RCGJRKIJTHBYNW-UHFFFAOYSA-N |
| TotalMolweight | 326.464 |
| Molweight | 326.464 |
| MonoisotopicMass | 326.021738 |
| CLogP | 0.9519 |
| CLogS | -3.167 |
| H Acceptors | 4 |
| TotalSurfaceArea | 234.26 |
| Relative PSA | 0.40976 |
| PolarSurfaceArea | 118.41 |
| Druglikeness | 4.0823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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