2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
Formula:C11H10N6O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C11H10N6O3S |
| Smiles | Nc1nnc(CC(N/N=C\c2cc([N+]([O-])=O)ccc2)=O)s1 |
| InChI | InChI=1S/C11H10N6O3S/c12-11-16-15-10(21-11)5-9(18)14-13-6-7-2-1-3-8(4-7)17(19)20/h1-4,6H,5H2,(H2,12,16)(H,14,18) |
| InChIK | MFQXMBGRKAHVOD-UHFFFAOYSA-N |
| TotalMolweight | 306.305 |
| Molweight | 306.305 |
| MonoisotopicMass | 306.053509 |
| CLogP | 0.4438 |
| CLogS | -3.429 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 226.4 |
| Relative PSA | 0.5477 |
| PolarSurfaceArea | 167.32 |
| Druglikeness | 0.675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
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