2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
Formula:C11H10N5OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C11H10N5OClS |
| Smiles | Nc1nnc(CC(N/N=C/c(cccc2)c2Cl)=O)s1 |
| InChI | InChI=1S/C11H10ClN5OS/c12-8-4-2-1-3-7(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 | KRQPWMNNVMDGES-UHFFFAOYSA-N |
| TotalMolweight | 295.753 |
| Molweight | 295.753 |
| MonoisotopicMass | 295.029457 |
| CLogP | 1.9714 |
| CLogS | -3.705 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 218.15 |
| Relative PSA | 0.42897 |
| PolarSurfaceArea | 121.5 |
| Druglikeness | 5.7929 |
| 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 | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
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