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

C10H10N2O3S — CID 82035931

IUPAC5-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCC1=C(N2C(=C(SC2=N1)C(=O)O)C)C(=O)C
InChIInChI=1S/C10H10N2O3S/c1-4-7(6(3)13)12-5(2)8(9(14)15)16-10(12)11-4/h1-3H3,(H,14,15)
InChIKeyFTTYLVPTQGMILH-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.50
Rot. Bonds2

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

5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035931) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035931
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name5-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCC1=C(N2C(=C(SC2=N1)C(=O)O)C)C(=O)C
InChIInChI=1S/C10H10N2O3S/c1-4-7(6(3)13)12-5(2)8(9(14)15)16-10(12)11-4/h1-3H3,(H,14,15)
InChIKeyFTTYLVPTQGMILH-UHFFFAOYSA-N
XLogP2.50
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity336

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-Acetyl-3,6-dimethylimidazo[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

Related Compounds

CID 13118863
CID 13118863
CID 39197679
CID 39197679
CID 118264292
CID 118264292
CID 72183123
CID 72183123
CID 82035934
CID 82035934
CID 82035938
CID 82035938
CID 82035948
CID 82035948
CID 82035951
CID 82035951
CID 82035974
CID 82035974
CID 83085818
CID 83085818
CID 83086331
CID 83086331
CID 22224507
CID 22224507

Frequently Asked Questions

What is the IUPAC name of 5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035931) is 5-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CC1=C(N2C(=C(SC2=N1)C(=O)O)C)C(=O)C.
What is the InChIKey of 5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is FTTYLVPTQGMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-4-7(6(3)13)12-5(2)8(9(14)15)16-10(12)11-4/h1-3H3,(H,14,15).
What are the key properties of 5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).