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

C6H3FN2OS — CID 86767807

IUPAC5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(F)nc2s1
InChIInChI=1S/C6H3FN2OS/c7-4-2-1-3-5(9-4)11-6(10)8-3/h1-2H,(H,8,10)
InChIKeyHZHPJDZKQNIXBL-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.12
Rot. Bonds

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

5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 86767807) has the molecular formula C6H3FN2OS and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID86767807
Molecular FormulaC6H3FN2OS
Molecular Weight170.17 g/mol
Exact Mass170.00
IUPAC Name5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(F)nc2s1
InChIInChI=1S/C6H3FN2OS/c7-4-2-1-3-5(9-4)11-6(10)8-3/h1-2H,(H,8,10)
InChIKeyHZHPJDZKQNIXBL-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

Computed Properties (RDKit)

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

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Related Compounds

5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione
CID 11149056
Thiazolo[5,4-b]pyridin-2(1H)-one
CID 13323937
6-Fluorothiazolo[5,4-b]pyridin-2(1H)-one
CID 68816242
6-Fluoro-1-(2-propen-1-yl)[1,3]thiazolo[5,4-b]pyridin-2(1H)-one
CID 68992981
5-Fluoro-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine
CID 144182795
5-Chlorothiazolo[5,4-b]pyridin-2(1H)-one
CID 14423128
Thiazolo[4,5-c]pyridin-2-ol
CID 53439246
5-Methyl-1,2-dihydro-[1,3]thiazolo[5,4-b]pyridine
CID 144182771
CID 153383059
CID 153383059
3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 160818613

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 86767807) is 5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one is O=c1[nH]c2ccc(F)nc2s1.
What is the InChIKey of 5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is HZHPJDZKQNIXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2OS/c7-4-2-1-3-5(9-4)11-6(10)8-3/h1-2H,(H,8,10).
What are the key properties of 5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
5-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 5-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 86767807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).