2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid

C10H12N2O2S — CID 67405914

IUPAC2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid
SMILESCCC(C(=O)O)c1cn2cc(C)sc2n1
InChIInChI=1S/C10H12N2O2S/c1-3-7(9(13)14)8-5-12-4-6(2)15-10(12)11-8/h4-5,7H,3H2,1-2H3,(H,13,14)
InChIKeyWKOBRJCMLGEIDG-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.28
Rot. Bonds3

About 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid

2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid (PubChem CID 67405914) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid
PubChem CID67405914
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid
SMILESCCC(C(=O)O)c1cn2cc(C)sc2n1
InChIInChI=1S/C10H12N2O2S/c1-3-7(9(13)14)8-5-12-4-6(2)15-10(12)11-8/h4-5,7H,3H2,1-2H3,(H,13,14)
InChIKeyWKOBRJCMLGEIDG-UHFFFAOYSA-N
XLogP2.28
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid?
The IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid (CID 67405914) is 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid.
What is the SMILES notation for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid?
The canonical SMILES for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid is CCC(C(=O)O)c1cn2cc(C)sc2n1.
What is the InChIKey of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid?
The InChIKey is WKOBRJCMLGEIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-3-7(9(13)14)8-5-12-4-6(2)15-10(12)11-8/h4-5,7H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid?
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid has a molecular weight of 224.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid is sourced from PubChem (CID 67405914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).