5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid

C13H9BrN2O3S — CID 115331935

IUPAC5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCc1cn2ccsc2n1
InChIInChI=1S/C13H9BrN2O3S/c14-8-1-2-11(10(5-8)12(17)18)19-7-9-6-16-3-4-20-13(16)15-9/h1-6H,7H2,(H,17,18)
InChIKeyAGSZPPAVNAEJOV-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid

5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid (PubChem CID 115331935) has the molecular formula C13H9BrN2O3S and a molecular weight of 353.20 g/mol. Its IUPAC name is 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
PubChem CID115331935
Molecular FormulaC13H9BrN2O3S
Molecular Weight353.20 g/mol
Exact Mass351.95
IUPAC Name5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCc1cn2ccsc2n1
InChIInChI=1S/C13H9BrN2O3S/c14-8-1-2-11(10(5-8)12(17)18)19-7-9-6-16-3-4-20-13(16)15-9/h1-6H,7H2,(H,17,18)
InChIKeyAGSZPPAVNAEJOV-UHFFFAOYSA-N
XLogP3.44
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanone
CID 78942887
2-amino-5-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 107076961
3-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331937
[3-bromo-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331341
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one
CID 78942904
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792047
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-4-methoxyphenyl]ethanone
CID 82002993
6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 103013389
5-bromo-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 113437332
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid?
The IUPAC name of 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid (CID 115331935) is 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid.
What is the SMILES notation for 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid?
The canonical SMILES for 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid is O=C(O)c1cc(Br)ccc1OCc1cn2ccsc2n1.
What is the InChIKey of 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid?
The InChIKey is AGSZPPAVNAEJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O3S/c14-8-1-2-11(10(5-8)12(17)18)19-7-9-6-16-3-4-20-13(16)15-9/h1-6H,7H2,(H,17,18).
What are the key properties of 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid?
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid has a molecular weight of 353.20 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid is sourced from PubChem (CID 115331935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).