(5Z)-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
Formula:C13H14N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C13H14N2O3S2 |
| Smiles | O=C(/C(/S1)=C/c2cccs2)N(CN2CCOCC2)C1=O |
| InChI | InChI=1S/C13H14N2O3S2/c16-12-11(8-10-2-1-7-19-10)20-13(17)15(12)9-14-3-5-18-6-4-14/h1-2,7-8H,3-6,9H2 |
| InChIK | LKRZEDGYKVBQHS-UHFFFAOYSA-N |
| TotalMolweight | 310.397 |
| Molweight | 310.397 |
| MonoisotopicMass | 310.044583 |
| CLogP | 1.2971 |
| CLogS | -2.816 |
| H Acceptors | 5 |
| TotalSurfaceArea | 219.3 |
| Relative PSA | 0.36949 |
| PolarSurfaceArea | 103.39 |
| Druglikeness | 4.4418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| 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 | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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