5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(Z)-pyrrol-2-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C16H16N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(Z)-pyrrol-2-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(Z)-pyrrol-2-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C16H16N6O2S |
| Smiles | NC(N1N=C(CC(N2CCCC2)=O)SC1=N1)=C(/C=C2\N=CC=C2)C1=O |
| InChI | InChI=1S/C16H16N6O2S/c17-14-11(8-10-4-3-5-18-10)15(24)19-16-22(14)20-12(25-16)9-13(23)21-6-1-2-7-21/h3-5,8H,1-2,6-7,9,17H2 |
| InChIK | JQGYWYQTAUCFOR-UHFFFAOYSA-N |
| TotalMolweight | 356.409 |
| Molweight | 356.409 |
| MonoisotopicMass | 356.105544 |
| CLogP | 0.066 |
| CLogS | -3.428 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 255.24 |
| Relative PSA | 0.39363 |
| PolarSurfaceArea | 129.02 |
| Druglikeness | 7.6539 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(Z)-pyrrol-2-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[(Z)-pyrrol-2-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off