2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
Formula:C19H19N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C19H19N5O3S |
| Smiles | Nc1nnc(CC(N/N=C\c(cc2)ccc2OCCOc2ccccc2)=O)s1 |
| InChI | InChI=1S/C19H19N5O3S/c20-19-24-23-18(28-19)12-17(25)22-21-13-14-6-8-16(9-7-14)27-11-10-26-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H2,20,24)(H,22,25) |
| InChIK | PGCBVAURPYTNME-UHFFFAOYSA-N |
| TotalMolweight | 397.458 |
| Molweight | 397.458 |
| MonoisotopicMass | 397.12086 |
| CLogP | 2.7204 |
| CLogS | -4.237 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 310.01 |
| Relative PSA | 0.36638 |
| PolarSurfaceArea | 139.96 |
| Druglikeness | -1.3824 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
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