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

C11H12N2O3S — CID 82035930

IUPAC5-acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCC1=C(SC2=NC(=C(N12)C(=O)C)C)C(=O)O
InChIInChI=1S/C11H12N2O3S/c1-4-7-9(10(15)16)17-11-12-5(2)8(6(3)14)13(7)11/h4H2,1-3H3,(H,15,16)
InChIKeyBGWUWHIVTVDVDM-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.00
Rot. Bonds3

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

5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035930) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035930
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name5-acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCC1=C(SC2=NC(=C(N12)C(=O)C)C)C(=O)O
InChIInChI=1S/C11H12N2O3S/c1-4-7-9(10(15)16)17-11-12-5(2)8(6(3)14)13(7)11/h4H2,1-3H3,(H,15,16)
InChIKeyBGWUWHIVTVDVDM-UHFFFAOYSA-N
XLogP3.00
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity350

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-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 5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035930) is 5-acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCC1=C(SC2=NC(=C(N12)C(=O)C)C)C(=O)O.
What is the InChIKey of 5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is BGWUWHIVTVDVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-4-7-9(10(15)16)17-11-12-5(2)8(6(3)14)13(7)11/h4H2,1-3H3,(H,15,16).
What are the key properties of 5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Acetyl-3-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).