2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

C13H9BrN2O2S — CID 43464903

IUPAC2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(-c3ccccc3Br)cn12
InChIInChI=1S/C13H9BrN2O2S/c14-10-4-2-1-3-9(10)11-6-16-8(5-12(17)18)7-19-13(16)15-11/h1-4,6-7H,5H2,(H,17,18)
InChIKeyQFUQACPSZQFWAL-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.45
Rot. Bonds3

About 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (PubChem CID 43464903) has the molecular formula C13H9BrN2O2S and a molecular weight of 337.20 g/mol. Its IUPAC name is 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
PubChem CID43464903
Molecular FormulaC13H9BrN2O2S
Molecular Weight337.20 g/mol
Exact Mass335.96
IUPAC Name2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(-c3ccccc3Br)cn12
InChIInChI=1S/C13H9BrN2O2S/c14-10-4-2-1-3-9(10)11-6-16-8(5-12(17)18)7-19-13(16)15-11/h1-4,6-7H,5H2,(H,17,18)
InChIKeyQFUQACPSZQFWAL-UHFFFAOYSA-N
XLogP3.45
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (CID 43464903) is 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is O=C(O)Cc1csc2nc(-c3ccccc3Br)cn12.
What is the InChIKey of 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The InChIKey is QFUQACPSZQFWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2S/c14-10-4-2-1-3-9(10)11-6-16-8(5-12(17)18)7-19-13(16)15-11/h1-4,6-7H,5H2,(H,17,18).
What are the key properties of 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid has a molecular weight of 337.20 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is sourced from PubChem (CID 43464903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).