3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid

C10H12N2O2S — CID 82617758

IUPAC3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid
SMILESCc1nc2sccn2c1C(C)CC(=O)O
InChIInChI=1S/C10H12N2O2S/c1-6(5-8(13)14)9-7(2)11-10-12(9)3-4-15-10/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyZGPSKGVVOLZPCL-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.28
Rot. Bonds3

About 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid

3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid (PubChem CID 82617758) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid
PubChem CID82617758
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid
SMILESCc1nc2sccn2c1C(C)CC(=O)O
InChIInChI=1S/C10H12N2O2S/c1-6(5-8(13)14)9-7(2)11-10-12(9)3-4-15-10/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyZGPSKGVVOLZPCL-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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Related Compounds

N-[1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethyl]propan-2-amine
CID 115977410
N-[1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethyl]propan-1-amine
CID 115977393
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]butanoic acid
CID 66137594
methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate
CID 101023044
6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
CID 142258463
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79339901
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79324353
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339746
4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol
CID 113376077

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid?
The IUPAC name of 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid (CID 82617758) is 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid.
What is the SMILES notation for 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid?
The canonical SMILES for 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid is Cc1nc2sccn2c1C(C)CC(=O)O.
What is the InChIKey of 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid?
The InChIKey is ZGPSKGVVOLZPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6(5-8(13)14)9-7(2)11-10-12(9)3-4-15-10/h3-4,6H,5H2,1-2H3,(H,13,14).
What are the key properties of 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid?
3-(6-methylimidazo[2,1-b][1,3]thiazol-5-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 3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid is sourced from PubChem (CID 82617758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).