(5Z)-5-(1,2-oxazol-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C7H4N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(1,2-oxazol-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(1,2-oxazol-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C7H4N2O2S2 |
| Smiles | O=C(/C(/S1)=C/c2nocc2)NC1=S |
| InChI | InChI=1S/C7H4N2O2S2/c10-6-5(13-7(12)8-6)3-4-1-2-11-9-4/h1-3H,(H,8,10,12) |
| InChIK | SAKIMZATJUGZKG-UHFFFAOYSA-N |
| TotalMolweight | 212.253 |
| Molweight | 212.253 |
| MonoisotopicMass | 211.971418 |
| CLogP | -0.3915 |
| CLogS | -2.621 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 152.33 |
| Relative PSA | 0.62411 |
| PolarSurfaceArea | 112.52 |
| Druglikeness | 3.5592 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-(1,2-oxazol-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1,2-oxazol-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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