(2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Formula:C13H11N2OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one |
| MolecularFormula | C13H11N2OFS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2F)N2C1=NCCC2 |
| InChI | InChI=1S/C13H11FN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-7-1-6-15-13(16)18-11/h2-5,8H,1,6-7H2 |
| InChIK | UQWMVPXYNNAGAD-UHFFFAOYSA-N |
| TotalMolweight | 262.307 |
| Molweight | 262.307 |
| MonoisotopicMass | 262.057611 |
| CLogP | 2.1658 |
| CLogS | -3.573 |
| H Acceptors | 3 |
| TotalSurfaceArea | 187.11 |
| Relative PSA | 0.24365 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 3.9137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one | 2 - (2Z)-2-[(4-fluorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
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