2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C13H10N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H10N6O2S |
| Smiles | O=C(Cc1nc(-c2nccnc2)no1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H10N6O2S/c20-11(18-16-7-9-2-1-5-22-9)6-12-17-13(19-21-12)10-8-14-3-4-15-10/h1-5,7-8H,6H2,(H,18,20) |
| InChIK | UKUOATMADIKLTO-UHFFFAOYSA-N |
| TotalMolweight | 314.328 |
| Molweight | 314.328 |
| MonoisotopicMass | 314.058594 |
| CLogP | 0.9746 |
| CLogS | -2.701 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 241.18 |
| Relative PSA | 0.47417 |
| PolarSurfaceArea | 134.4 |
| Druglikeness | 6.9391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off