2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

C5H2BrN3O2S — CID 56965726

IUPAC2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
SMILESO=C(O)c1cn2nc(Br)sc2n1
InChIInChI=1S/C5H2BrN3O2S/c6-4-8-9-1-2(3(10)11)7-5(9)12-4/h1H,(H,10,11)
InChIKeyWIJRPAZEAZYPEQ-UHFFFAOYSA-N
MW248.06 g/mol
LogP1.25
Rot. Bonds1

About 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid (PubChem CID 56965726) has the molecular formula C5H2BrN3O2S and a molecular weight of 248.06 g/mol. Its IUPAC name is 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
PubChem CID56965726
Molecular FormulaC5H2BrN3O2S
Molecular Weight248.06 g/mol
Exact Mass246.91
IUPAC Name2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
SMILESO=C(O)c1cn2nc(Br)sc2n1
InChIInChI=1S/C5H2BrN3O2S/c6-4-8-9-1-2(3(10)11)7-5(9)12-4/h1H,(H,10,11)
InChIKeyWIJRPAZEAZYPEQ-UHFFFAOYSA-N
XLogP1.25
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid
CID 87553679
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913
N-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110859730
2-(1-propan-2-yloxycarbonylpiperidin-4-yl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 131988194
4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide
CID 131984766
4-bromo-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 91658823
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849857
2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 125473967
2-bromo-6-(5-fluoro-2-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 83125234
2-bromo-6-(1-methylimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 131162388
2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159283
N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857588

Frequently Asked Questions

What is the IUPAC name of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
The IUPAC name of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid (CID 56965726) is 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid.
What is the SMILES notation for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
The canonical SMILES for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid is O=C(O)c1cn2nc(Br)sc2n1.
What is the InChIKey of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
The InChIKey is WIJRPAZEAZYPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrN3O2S/c6-4-8-9-1-2(3(10)11)7-5(9)12-4/h1H,(H,10,11).
What are the key properties of 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid?
2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid has a molecular weight of 248.06 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid is sourced from PubChem (CID 56965726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).