(2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
Formula:C5H6N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide is a drug-like molecule.
| MolName | (2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide |
| MolecularFormula | C5H6N2O2S |
| Smiles | NC(/C=C(/N1)\SCC1=O)=O |
| InChI | InChI=1S/C5H6N2O2S/c6-3(8)1-5-7-4(9)2-10-5/h1H,2H2,(H2,6,8)(H,7,9) |
| InChIK | MRGGNZQASMBAHL-UHFFFAOYSA-N |
| TotalMolweight | 158.181 |
| Molweight | 158.181 |
| MonoisotopicMass | 158.014998 |
| CLogP | -1.0592 |
| CLogS | -1.305 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 111.44 |
| Relative PSA | 0.63083 |
| PolarSurfaceArea | 97.49 |
| Druglikeness | 1.2062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide | 2 - (2Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
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