3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid

C8H7BrN2O2S — CID 81496277

IUPAC3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
SMILESO=C(O)CCc1csc2ncc(Br)n12
InChIInChI=1S/C8H7BrN2O2S/c9-6-3-10-8-11(6)5(4-14-8)1-2-7(12)13/h3-4H,1-2H2,(H,12,13)
InChIKeyDMENUIJIDRXLPA-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.18
Rot. Bonds3

About 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid

3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid (PubChem CID 81496277) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
PubChem CID81496277
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC Name3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid
SMILESO=C(O)CCc1csc2ncc(Br)n12
InChIInChI=1S/C8H7BrN2O2S/c9-6-3-10-8-11(6)5(4-14-8)1-2-7(12)13/h3-4H,1-2H2,(H,12,13)
InChIKeyDMENUIJIDRXLPA-UHFFFAOYSA-N
XLogP2.18
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
The IUPAC name of 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid (CID 81496277) is 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid is O=C(O)CCc1csc2ncc(Br)n12.
What is the InChIKey of 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
The InChIKey is DMENUIJIDRXLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c9-6-3-10-8-11(6)5(4-14-8)1-2-7(12)13/h3-4H,1-2H2,(H,12,13).
What are the key properties of 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid?
3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid has a molecular weight of 275.13 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromoimidazo[2,1-b][1,3]thiazol-3-yl)propanoic acid is sourced from PubChem (CID 81496277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).