2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C18H16N5O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C18H16N5O2FS |
| Smiles | Nc1nnc(CC(N/N=C\c2cc(OCc(cc3)ccc3F)ccc2)=O)s1 |
| InChI | InChI=1S/C18H16FN5O2S/c19-14-6-4-12(5-7-14)11-26-15-3-1-2-13(8-15)10-21-22-16(25)9-17-23-24-18(20)27-17/h1-8,10H,9,11H2,(H2,20,24)(H,22,25) |
| InChIK | SFQOVDKIDFXNOS-UHFFFAOYSA-N |
| TotalMolweight | 385.422 |
| Molweight | 385.422 |
| MonoisotopicMass | 385.100873 |
| CLogP | 2.8143 |
| CLogS | -4.624 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 292.6 |
| Relative PSA | 0.354 |
| PolarSurfaceArea | 130.73 |
| Druglikeness | 4.1576 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
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