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

C12H6BrFN2O3S — CID 83234799

IUPAC6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(Oc2ccc(F)c(Br)c2)nc2sccn12
InChIInChI=1S/C12H6BrFN2O3S/c13-7-5-6(1-2-8(7)14)19-10-9(11(17)18)16-3-4-20-12(16)15-10/h1-5H,(H,17,18)
InChIKeyAZIGJCHIWITTHO-UHFFFAOYSA-N
MW357.16 g/mol
LogP3.79
Rot. Bonds3

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

6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 83234799) has the molecular formula C12H6BrFN2O3S and a molecular weight of 357.16 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID83234799
Molecular FormulaC12H6BrFN2O3S
Molecular Weight357.16 g/mol
Exact Mass355.93
IUPAC Name6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(Oc2ccc(F)c(Br)c2)nc2sccn12
InChIInChI=1S/C12H6BrFN2O3S/c13-7-5-6(1-2-8(7)14)19-10-9(11(17)18)16-3-4-20-12(16)15-10/h1-5H,(H,17,18)
InChIKeyAZIGJCHIWITTHO-UHFFFAOYSA-N
XLogP3.79
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475866
6-phenoxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475881
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
6-(4-cyanophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475883
6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43554836
6-(2-chloro-5-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475907
6-(1-propylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 116801912
3-bromo-4-fluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 104776088
6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107169612
4-(3-bromo-4-fluorophenoxy)-3-chlorobenzoic acid
CID 83234294
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 83234799) is 6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1c(Oc2ccc(F)c(Br)c2)nc2sccn12.
What is the InChIKey of 6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is AZIGJCHIWITTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O3S/c13-7-5-6(1-2-8(7)14)19-10-9(11(17)18)16-3-4-20-12(16)15-10/h1-5H,(H,17,18).
What are the key properties of 6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 357.16 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 83234799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).