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

C10H12N2O2S — CID 79022414

IUPAC6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(C)c(C)n2c1C(=O)O
InChIInChI=1S/C10H12N2O2S/c1-4-7-8(9(13)14)12-5(2)6(3)15-10(12)11-7/h4H2,1-3H3,(H,13,14)
InChIKeyXBRJKUVEQBKGDO-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.27
Rot. Bonds2

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

6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 79022414) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID79022414
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(C)c(C)n2c1C(=O)O
InChIInChI=1S/C10H12N2O2S/c1-4-7-8(9(13)14)12-5(2)6(3)15-10(12)11-7/h4H2,1-3H3,(H,13,14)
InChIKeyXBRJKUVEQBKGDO-UHFFFAOYSA-N
XLogP2.27
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 79022414) is 6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCc1nc2sc(C)c(C)n2c1C(=O)O.
What is the InChIKey of 6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is XBRJKUVEQBKGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-4-7-8(9(13)14)12-5(2)6(3)15-10(12)11-7/h4H2,1-3H3,(H,13,14).
What are the key properties of 6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 79022414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).