2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-anthracen-9-ylmethylideneamino]acetamide
Formula:C19H15N5OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-anthracen-9-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-anthracen-9-ylmethylideneamino]acetamide |
| MolecularFormula | C19H15N5OS |
| Smiles | Nc1nnc(CC(N/N=C/c2c(cccc3)c3cc3ccccc23)=O)s1 |
| InChI | InChI=1S/C19H15N5OS/c20-19-24-23-18(26-19)10-17(25)22-21-11-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16/h1-9,11H,10H2,(H2,20,24)(H,22,25) |
| InChIK | PXCQMDQFUNAGAF-UHFFFAOYSA-N |
| TotalMolweight | 361.428 |
| Molweight | 361.428 |
| MonoisotopicMass | 361.09973 |
| CLogP | 3.7542 |
| CLogS | -6.181 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 271.93 |
| Relative PSA | 0.34413 |
| PolarSurfaceArea | 121.5 |
| Druglikeness | 5.7629 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-anthracen-9-ylmethylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-anthracen-9-ylmethylideneamino]acetamide
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