2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
Formula:C11H10N5OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C11H10N5OBrS |
| Smiles | Nc1nnc(CC(N/N=C/c(cc2)ccc2Br)=O)s1 |
| InChI | InChI=1S/C11H10BrN5OS/c12-8-3-1-7(2-4-8)6-14-15-9(18)5-10-16-17-11(13)19-10/h1-4,6H,5H2,(H2,13,17)(H,15,18) |
| InChIK | AIANLQKCZUVQBL-UHFFFAOYSA-N |
| TotalMolweight | 340.204 |
| Molweight | 340.204 |
| MonoisotopicMass | 338.978941 |
| CLogP | 2.0906 |
| CLogS | -3.803 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 221.36 |
| Relative PSA | 0.42275 |
| PolarSurfaceArea | 121.5 |
| Druglikeness | 3.9729 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
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