2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C6H3FN2O2S — CID 177168444

IUPAC2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc2sc(F)cn12
InChIInChI=1S/C6H3FN2O2S/c7-4-2-9-3(5(10)11)1-8-6(9)12-4/h1-2H,(H,10,11)
InChIKeyWUIRSAATTGRIMT-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.23
Rot. Bonds1

About 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 177168444) has the molecular formula C6H3FN2O2S and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID177168444
Molecular FormulaC6H3FN2O2S
Molecular Weight186.17 g/mol
Exact Mass185.99
IUPAC Name2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc2sc(F)cn12
InChIInChI=1S/C6H3FN2O2S/c7-4-2-9-3(5(10)11)1-8-6(9)12-4/h1-2H,(H,10,11)
InChIKeyWUIRSAATTGRIMT-UHFFFAOYSA-N
XLogP1.23
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 177168444) is 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1cnc2sc(F)cn12.
What is the InChIKey of 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is WUIRSAATTGRIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2O2S/c7-4-2-9-3(5(10)11)1-8-6(9)12-4/h1-2H,(H,10,11).
What are the key properties of 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 177168444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).