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

C9H7FN2OS — CID 68992981

IUPAC6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESC=CCn1c(=O)sc2ncc(F)cc21
InChIInChI=1S/C9H7FN2OS/c1-2-3-12-7-4-6(10)5-11-8(7)14-9(12)13/h2,4-5H,1,3H2
InChIKeyOUQULKRPKYYFHI-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.78
Rot. Bonds2

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

6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 68992981) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID68992981
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESC=CCn1c(=O)sc2ncc(F)cc21
InChIInChI=1S/C9H7FN2OS/c1-2-3-12-7-4-6(10)5-11-8(7)14-9(12)13/h2,4-5H,1,3H2
InChIKeyOUQULKRPKYYFHI-UHFFFAOYSA-N
XLogP1.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 68992981) is 6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one is C=CCn1c(=O)sc2ncc(F)cc21.
What is the InChIKey of 6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is OUQULKRPKYYFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c1-2-3-12-7-4-6(10)5-11-8(7)14-9(12)13/h2,4-5H,1,3H2.
What are the key properties of 6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-prop-2-enyl-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 68992981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).