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

C10H12N2O2S — CID 39197641

IUPAC3-ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCC1=C(SC2=NC(=C(N12)C(=O)O)C)C
InChIInChI=1S/C10H12N2O2S/c1-4-7-6(3)15-10-11-5(2)8(9(13)14)12(7)10/h4H2,1-3H3,(H,13,14)
InChIKeyCWYVXNOXVDFGRA-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.40
Rot. Bonds2

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

3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 39197641) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID39197641
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCC1=C(SC2=NC(=C(N12)C(=O)O)C)C
InChIInChI=1S/C10H12N2O2S/c1-4-7-6(3)15-10-11-5(2)8(9(13)14)12(7)10/h4H2,1-3H3,(H,13,14)
InChIKeyCWYVXNOXVDFGRA-UHFFFAOYSA-N
XLogP3.40
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 39197641) is 3-ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCC1=C(SC2=NC(=C(N12)C(=O)O)C)C.
What is the InChIKey of 3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is CWYVXNOXVDFGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-4-7-6(3)15-10-11-5(2)8(9(13)14)12(7)10/h4H2,1-3H3,(H,13,14).
What are the key properties of 3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Ethyl-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 39197641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).