2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C11H12N2O3S — CID 82035935

IUPAC2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(C(C)=O)c(C)n2c1C(=O)O
InChIInChI=1S/C11H12N2O3S/c1-4-7-8(10(15)16)13-5(2)9(6(3)14)17-11(13)12-7/h4H2,1-3H3,(H,15,16)
InChIKeyUHEMVSNDGVKGDZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.17
Rot. Bonds3

About 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035935) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035935
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(C(C)=O)c(C)n2c1C(=O)O
InChIInChI=1S/C11H12N2O3S/c1-4-7-8(10(15)16)13-5(2)9(6(3)14)17-11(13)12-7/h4H2,1-3H3,(H,15,16)
InChIKeyUHEMVSNDGVKGDZ-UHFFFAOYSA-N
XLogP2.17
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035937
6-ethyl-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035945
2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035938
2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 79022456
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035472
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
CID 13485346
2-ethyl-3-phenyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200447
6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83085807
2,3-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83085911
4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
CID 71434909

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035935) is 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCc1nc2sc(C(C)=O)c(C)n2c1C(=O)O.
What is the InChIKey of 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is UHEMVSNDGVKGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-4-7-8(10(15)16)13-5(2)9(6(3)14)17-11(13)12-7/h4H2,1-3H3,(H,15,16).
What are the key properties of 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).