N-[5-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
Formula:C18H14N5O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[5-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.
| MolName | N-[5-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide |
| MolecularFormula | C18H14N5O2FS |
| Smiles | O=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C18H14FN5O2S/c19-14-8-6-12(7-9-14)11-20-22-15(25)10-16-23-24-18(27-16)21-17(26)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,22,25)(H,21,24,26) |
| InChIK | PMGWIPSNLGSQJT-UHFFFAOYSA-N |
| TotalMolweight | 383.406 |
| Molweight | 383.406 |
| MonoisotopicMass | 383.085223 |
| CLogP | 3.291 |
| CLogS | -4.719 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 289.53 |
| Relative PSA | 0.35509 |
| PolarSurfaceArea | 124.58 |
| Druglikeness | 5.1471 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[5-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - N-[5-[2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
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