5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

C22H14F2N4O2S — CID 3806267

IUPAC5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)n2c(sc(=Cc3ccccc3F)c2=O)=C(C(N)=O)C1c1ccccc1F
InChIInChI=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)
InChIKeyZDEHYROCIDEIFZ-UHFFFAOYSA-N
MW436.44 g/mol
LogP1.10
Rot. Bonds3

About 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 3806267) has the molecular formula C22H14F2N4O2S and a molecular weight of 436.44 g/mol. Its IUPAC name is 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
PubChem CID3806267
Molecular FormulaC22H14F2N4O2S
Molecular Weight436.44 g/mol
Exact Mass436.08
IUPAC Name5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)n2c(sc(=Cc3ccccc3F)c2=O)=C(C(N)=O)C1c1ccccc1F
InChIInChI=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)
InChIKeyZDEHYROCIDEIFZ-UHFFFAOYSA-N
XLogP1.10
TPSA114.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The IUPAC name of 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 3806267) is 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The canonical SMILES for 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is N#CC1=C(N)n2c(sc(=Cc3ccccc3F)c2=O)=C(C(N)=O)C1c1ccccc1F.
What is the InChIKey of 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The InChIKey is ZDEHYROCIDEIFZ-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-cyano-7-(2-fluorophenyl)-2-[(2-fluorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 3806267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).