(2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Formula:C13H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one |
| MolecularFormula | C13H12N2O2S |
| Smiles | Oc1cccc(/C=C2\SC3=NCCCN3C2=O)c1 |
| InChI | InChI=1S/C13H12N2O2S/c16-10-4-1-3-9(7-10)8-11-12(17)15-6-2-5-14-13(15)18-11/h1,3-4,7-8,16H,2,5-6H2 |
| InChIK | DWUMJXBUFIOTMW-UHFFFAOYSA-N |
| TotalMolweight | 260.316 |
| Molweight | 260.316 |
| MonoisotopicMass | 260.061948 |
| CLogP | 1.7193 |
| CLogS | -2.963 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 187.11 |
| Relative PSA | 0.31367 |
| PolarSurfaceArea | 78.2 |
| Druglikeness | 5.2533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| 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 | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one | 2 - (2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off