| MolName | (2E)-2-[(2-chlorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one |
| MolecularFormula | C12H9N2OClS |
| Smiles | O=C(/C(/S1)=C\c(cccc2)c2Cl)N2C1=NCC2 |
| InChI | InChI=1S/C12H9ClN2OS/c13-9-4-2-1-3-8(9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,7H,5-6H2 |
| InChIK | QMUXVUWKUDKJLK-UHFFFAOYSA-N |
| TotalMolweight | 264.735 |
| Molweight | 264.735 |
| MonoisotopicMass | 264.01241 |
| CLogP | 2.329 |
| CLogS | -3.725 |
| H Acceptors | 3 |
| TotalSurfaceArea | 182.42 |
| Relative PSA | 0.24992 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 5.5681 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-[(2-chlorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one | 2 - (2E)-2-[(2-chlorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one