(6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C16H15N5O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[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-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C16H15N5O4S |
| Smiles | N=C(/C1=C/c2ccco2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C16H15N5O4S/c17-14-11(8-10-2-1-5-25-10)15(23)18-16-21(14)19-12(26-16)9-13(22)20-3-6-24-7-4-20/h1-2,5,8,17H,3-4,6-7,9H2 |
| InChIK | NPBOTVRQFCZBGT-UHFFFAOYSA-N |
| TotalMolweight | 373.392 |
| Molweight | 373.392 |
| MonoisotopicMass | 373.084475 |
| CLogP | -0.8838 |
| CLogS | -0.96 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 265.8 |
| Relative PSA | 0.42664 |
| PolarSurfaceArea | 136.86 |
| Druglikeness | 6.3436 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[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