2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid

C6H3BrN2O2S — CID 59168404

IUPAC2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid
SMILESO=C(O)c1ncn2cc(Br)sc12
InChIInChI=1S/C6H3BrN2O2S/c7-3-1-9-2-8-4(6(10)11)5(9)12-3/h1-2H,(H,10,11)
InChIKeyMZUGTYNTVCMQLF-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.86
Rot. Bonds1

About 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid

2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid (PubChem CID 59168404) has the molecular formula C6H3BrN2O2S and a molecular weight of 247.07 g/mol. Its IUPAC name is 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid.

Molecular Properties

Compound Name2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid
PubChem CID59168404
Molecular FormulaC6H3BrN2O2S
Molecular Weight247.07 g/mol
Exact Mass245.91
IUPAC Name2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid
SMILESO=C(O)c1ncn2cc(Br)sc12
InChIInChI=1S/C6H3BrN2O2S/c7-3-1-9-2-8-4(6(10)11)5(9)12-3/h1-2H,(H,10,11)
InChIKeyMZUGTYNTVCMQLF-UHFFFAOYSA-N
XLogP1.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid?
The IUPAC name of 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid (CID 59168404) is 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid.
What is the SMILES notation for 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid?
The canonical SMILES for 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid is O=C(O)c1ncn2cc(Br)sc12.
What is the InChIKey of 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid?
The InChIKey is MZUGTYNTVCMQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O2S/c7-3-1-9-2-8-4(6(10)11)5(9)12-3/h1-2H,(H,10,11).
What are the key properties of 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid?
2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid has a molecular weight of 247.07 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoimidazo[5,1-b][1,3]thiazole-7-carboxylic acid is sourced from PubChem (CID 59168404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).