6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium

C8H8FN2OS+ — CID 153376618

IUPAC6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium
SMILESCO[n+]1cc(F)cc2sc(C)nc21
InChIInChI=1S/C8H8FN2OS/c1-5-10-8-7(13-5)3-6(9)4-11(8)12-2/h3-4H,1-2H3/q+1
InChIKeyROZZOGOYJXNXLA-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.09
Rot. Bonds1

About 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium

6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium (PubChem CID 153376618) has the molecular formula C8H8FN2OS+ and a molecular weight of 199.23 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium.

Molecular Properties

Compound Name6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium
PubChem CID153376618
Molecular FormulaC8H8FN2OS+
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium
SMILESCO[n+]1cc(F)cc2sc(C)nc21
InChIInChI=1S/C8H8FN2OS/c1-5-10-8-7(13-5)3-6(9)4-11(8)12-2/h3-4H,1-2H3/q+1
InChIKeyROZZOGOYJXNXLA-UHFFFAOYSA-N
XLogP1.09
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium?
The IUPAC name of 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium (CID 153376618) is 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium.
What is the SMILES notation for 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium?
The canonical SMILES for 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium is CO[n+]1cc(F)cc2sc(C)nc21.
What is the InChIKey of 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium?
The InChIKey is ROZZOGOYJXNXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN2OS/c1-5-10-8-7(13-5)3-6(9)4-11(8)12-2/h3-4H,1-2H3/q+1.
What are the key properties of 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium?
6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium has a molecular weight of 199.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-2-methyl-[1,3]thiazolo[4,5-b]pyridin-4-ium is sourced from PubChem (CID 153376618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).