6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C12H7BrN2O3S — CID 43475866

IUPAC6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(Oc2ccc(Br)cc2)nc2sccn12
InChIInChI=1S/C12H7BrN2O3S/c13-7-1-3-8(4-2-7)18-10-9(11(16)17)15-5-6-19-12(15)14-10/h1-6H,(H,16,17)
InChIKeyQKGHANAUIPNARL-UHFFFAOYSA-N
MW339.17 g/mol
LogP3.65
Rot. Bonds3

About 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 43475866) has the molecular formula C12H7BrN2O3S and a molecular weight of 339.17 g/mol. Its IUPAC name is 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID43475866
Molecular FormulaC12H7BrN2O3S
Molecular Weight339.17 g/mol
Exact Mass337.94
IUPAC Name6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(Oc2ccc(Br)cc2)nc2sccn12
InChIInChI=1S/C12H7BrN2O3S/c13-7-1-3-8(4-2-7)18-10-9(11(16)17)15-5-6-19-12(15)14-10/h1-6H,(H,16,17)
InChIKeyQKGHANAUIPNARL-UHFFFAOYSA-N
XLogP3.65
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenoxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475881
6-(4-cyanophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475883
6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83234799
2-[6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63802425
6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 116801912
6-(2-chloro-5-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475907
[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
CID 61229919
5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086633
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087459
[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 65429809

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 43475866) is 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1c(Oc2ccc(Br)cc2)nc2sccn12.
What is the InChIKey of 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is QKGHANAUIPNARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3S/c13-7-1-3-8(4-2-7)18-10-9(11(16)17)15-5-6-19-12(15)14-10/h1-6H,(H,16,17).
What are the key properties of 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 339.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 43475866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).