| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C11H11N5O2S |
| Smiles | Nc1nnc(CC(N/N=C/c2cc(O)ccc2)=O)s1 |
| InChI | InChI=1S/C11H11N5O2S/c12-11-16-15-10(19-11)5-9(18)14-13-6-7-2-1-3-8(17)4-7/h1-4,6,17H,5H2,(H2,12,16)(H,14,18) |
| InChIK | APOSZNUPYRCERD-UHFFFAOYSA-N |
| TotalMolweight | 277.307 |
| Molweight | 277.307 |
| MonoisotopicMass | 277.063345 |
| CLogP | 1.0197 |
| CLogS | -2.673 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 209.08 |
| Relative PSA | 0.51024 |
| PolarSurfaceArea | 141.73 |
| Druglikeness | 5.7523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| 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 | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide