(6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C16H15N5O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C16H15N5O3S |
| Smiles | N=C(/C1=C/c2ccco2)N2N=C(CC(N3CCCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C16H15N5O3S/c17-14-11(8-10-4-3-7-24-10)15(23)18-16-21(14)19-12(25-16)9-13(22)20-5-1-2-6-20/h3-4,7-8,17H,1-2,5-6,9H2 |
| InChIK | YODWUKYAZCEQKL-UHFFFAOYSA-N |
| TotalMolweight | 357.393 |
| Molweight | 357.393 |
| MonoisotopicMass | 357.08956 |
| CLogP | -0.0618 |
| CLogS | -1.579 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 255.8 |
| Relative PSA | 0.40422 |
| PolarSurfaceArea | 127.63 |
| Druglikeness | 7.0583 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice 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 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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