N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
Formula:C12H7N5O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide |
| MolecularFormula | C12H7N5O4S2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2nc(-c3cccs3)no2)=O)s1)=O |
| InChI | InChI=1S/C12H7N5O4S2/c18-11(12-14-10(16-21-12)8-2-1-5-22-8)15-13-6-7-3-4-9(23-7)17(19)20/h1-6H,(H,15,18) |
| InChIK | HDLMCOXIGISUAP-UHFFFAOYSA-N |
| TotalMolweight | 349.351 |
| Molweight | 349.351 |
| MonoisotopicMass | 348.993945 |
| CLogP | 2.1788 |
| CLogS | -5.165 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 249.51 |
| Relative PSA | 0.57392 |
| PolarSurfaceArea | 182.68 |
| Druglikeness | 2.4411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide | 2 - N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off