2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
Formula:C20H17N6OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C20H17N6OFS |
| Smiles | Nc1nnc(CC(N/N=C\c2cn(Cc(cc3)ccc3F)c3c2cccc3)=O)s1 |
| InChI | InChI=1S/C20H17FN6OS/c21-15-7-5-13(6-8-15)11-27-12-14(16-3-1-2-4-17(16)27)10-23-24-18(28)9-19-25-26-20(22)29-19/h1-8,10,12H,9,11H2,(H2,22,26)(H,24,28) |
| InChIK | JNMAHOYWIIOXSY-UHFFFAOYSA-N |
| TotalMolweight | 408.46 |
| Molweight | 408.46 |
| MonoisotopicMass | 408.116857 |
| CLogP | 2.9959 |
| CLogS | -4.261 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 306.4 |
| Relative PSA | 0.32784 |
| PolarSurfaceArea | 126.43 |
| Druglikeness | 5.991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
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