6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one

C6H3FN2OS — CID 68816242

IUPAC6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2cc(F)cnc2s1
InChIInChI=1S/C6H3FN2OS/c7-3-1-4-5(8-2-3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKeyRBQQVRPMKDFODT-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.12
Rot. Bonds

About 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one

6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 68816242) has the molecular formula C6H3FN2OS and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID68816242
Molecular FormulaC6H3FN2OS
Molecular Weight170.17 g/mol
Exact Mass170.00
IUPAC Name6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2cc(F)cnc2s1
InChIInChI=1S/C6H3FN2OS/c7-3-1-4-5(8-2-3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKeyRBQQVRPMKDFODT-UHFFFAOYSA-N
XLogP1.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 68816242) is 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one is O=c1[nH]c2cc(F)cnc2s1.
What is the InChIKey of 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is RBQQVRPMKDFODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2OS/c7-3-1-4-5(8-2-3)11-6(10)9-4/h1-2H,(H,9,10).
What are the key properties of 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 170.17 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 68816242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).