(2E)-5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
Formula:C22H14N4O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E)-5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is a drug-like molecule.
| MolName | (2E)-5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide |
| MolecularFormula | C22H14N4O2F2S |
| Smiles | NC(C(C(c(cccc1)c1F)C(C#N)=C(N)N1C2=O)=C1S/C2=C/c(cccc1)c1F)=O |
| InChI | InChI=1S/C22H14F2N4O2S/c23-14-7-3-1-5-11(14)9-16-21(30)28-19(26)13(10-25)17(12-6-2-4-8-15(12)24)18(20(27)29)22(28)31-16/h1-9,17H,26H2,(H2,27,29)/t17-/m0/s1 |
| InChIK | ZDEHYROCIDEIFZ-KRWDZBQOSA-N |
| TotalMolweight | 436.441 |
| Molweight | 436.441 |
| MonoisotopicMass | 436.080552 |
| CLogP | 2.9849 |
| CLogS | -6.707 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 303.81 |
| Relative PSA | 0.30025 |
| PolarSurfaceArea | 138.51 |
| Druglikeness | -0.76538 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2E)-5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide | 2 - (2E)-5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
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