| MolName | (5E)-5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C11H12N4O2S2 |
| Smiles | O=C(/C(/N1)=C\c2cnc(N3CCOCC3)s2)NC1=S |
| InChI | InChI=1S/C11H12N4O2S2/c16-9-8(13-10(18)14-9)5-7-6-12-11(19-7)15-1-3-17-4-2-15/h5-6H,1-4H2,(H2,13,14,16,18) |
| InChIK | VMCNYPWVHVRVIN-UHFFFAOYSA-N |
| TotalMolweight | 296.374 |
| Molweight | 296.374 |
| MonoisotopicMass | 296.040166 |
| CLogP | 0.6053 |
| CLogS | -2.766 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 214.39 |
| Relative PSA | 0.50767 |
| PolarSurfaceArea | 126.82 |
| Druglikeness | 4.2927 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5E)-5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]-2-sulfanylideneimidazolidin-4-one