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

C10H10N2O3S — CID 82035937

IUPAC2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC(=O)c1sc2nc(C)c(C(=O)O)n2c1C
InChIInChI=1S/C10H10N2O3S/c1-4-7(9(14)15)12-5(2)8(6(3)13)16-10(12)11-4/h1-3H3,(H,14,15)
InChIKeySDWIMMKLUOOBQX-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.91
Rot. Bonds2

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

2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035937) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035937
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC(=O)c1sc2nc(C)c(C(=O)O)n2c1C
InChIInChI=1S/C10H10N2O3S/c1-4-7(9(14)15)12-5(2)8(6(3)13)16-10(12)11-4/h1-3H3,(H,14,15)
InChIKeySDWIMMKLUOOBQX-UHFFFAOYSA-N
XLogP1.91
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035935
2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035938
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708
6-ethyl-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035945
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
3-(3,4-dichlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035528
2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 79022456
2-ethyl-3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035323
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
2-acetyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 71522241
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035937) is 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CC(=O)c1sc2nc(C)c(C(=O)O)n2c1C.
What is the InChIKey of 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is SDWIMMKLUOOBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-4-7(9(14)15)12-5(2)8(6(3)13)16-10(12)11-4/h1-3H3,(H,14,15).
What are the key properties of 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).