2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
Formula:C12H10N6O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide |
| MolecularFormula | C12H10N6O5S |
| Smiles | Nc1nnc(CC(N/N=C\c(cc2OCOc2c2)c2[N+]([O-])=O)=O)s1 |
| InChI | InChI=1S/C12H10N6O5S/c13-12-17-16-11(24-12)3-10(19)15-14-4-6-1-8-9(23-5-22-8)2-7(6)18(20)21/h1-2,4H,3,5H2,(H2,13,17)(H,15,19) |
| InChIK | OOPKGOWBSXHYAT-UHFFFAOYSA-N |
| TotalMolweight | 350.314 |
| Molweight | 350.314 |
| MonoisotopicMass | 350.043339 |
| CLogP | 0.5552 |
| CLogS | -4.14 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 246.66 |
| Relative PSA | 0.5838 |
| PolarSurfaceArea | 185.78 |
| Druglikeness | 0.59548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off