1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine

C9H6FN5S — CID 56640748

IUPAC1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine
SMILESNc1ccn(-c2nc3ccc([18F])nc3s2)n1
InChIInChI=1S/C9H6FN5S/c10-6-2-1-5-8(13-6)16-9(12-5)15-4-3-7(11)14-15/h1-4H,(H2,11,14)/i10-1
InChIKeyAUQZNWFBVWIILP-LMANFOLPSA-N
MW234.25 g/mol
LogP1.60
Rot. Bonds1

About 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine

1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine (PubChem CID 56640748) has the molecular formula C9H6FN5S and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine
PubChem CID56640748
Molecular FormulaC9H6FN5S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine
SMILESNc1ccn(-c2nc3ccc([18F])nc3s2)n1
InChIInChI=1S/C9H6FN5S/c10-6-2-1-5-8(13-6)16-9(12-5)15-4-3-7(11)14-15/h1-4H,(H2,11,14)/i10-1
InChIKeyAUQZNWFBVWIILP-LMANFOLPSA-N
XLogP1.60
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine (CID 56640748) is 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine is Nc1ccn(-c2nc3ccc([18F])nc3s2)n1.
What is the InChIKey of 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine?
The InChIKey is AUQZNWFBVWIILP-LMANFOLPSA-N. The full InChI is InChI=1S/C9H6FN5S/c10-6-2-1-5-8(13-6)16-9(12-5)15-4-3-7(11)14-15/h1-4H,(H2,11,14)/i10-1.
What are the key properties of 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine?
1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine has a molecular weight of 234.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-(18F)fluoro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazol-3-amine is sourced from PubChem (CID 56640748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).