(2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Formula:C11H10N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is a drug-like molecule.
| MolName | (2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one |
| MolecularFormula | C11H10N2OS2 |
| Smiles | O=C(/C(/S1)=C\c2cccs2)N2C1=NCCC2 |
| InChI | InChI=1S/C11H10N2OS2/c14-10-9(7-8-3-1-6-15-8)16-11-12-4-2-5-13(10)11/h1,3,6-7H,2,4-5H2 |
| InChIK | LOOXZKUAZICRFJ-UHFFFAOYSA-N |
| TotalMolweight | 250.345 |
| Molweight | 250.345 |
| MonoisotopicMass | 250.023453 |
| CLogP | 1.9316 |
| CLogS | -3.269 |
| H Acceptors | 3 |
| TotalSurfaceArea | 176.7 |
| Relative PSA | 0.37323 |
| PolarSurfaceArea | 86.21 |
| Druglikeness | 5.7263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one | 2 - (2E)-2-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
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