2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C10H7F3N2O3S — CID 82035938

IUPAC2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC(=O)c1sc2nc(C(F)(F)F)c(C(=O)O)n2c1C
InChIInChI=1S/C10H7F3N2O3S/c1-3-6(4(2)16)19-9-14-7(10(11,12)13)5(8(17)18)15(3)9/h1-2H3,(H,17,18)
InChIKeyUFXVQRDGZPAPJU-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.62
Rot. Bonds2

About 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035938) has the molecular formula C10H7F3N2O3S and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035938
Molecular FormulaC10H7F3N2O3S
Molecular Weight292.24 g/mol
Exact Mass292.01
IUPAC Name2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC(=O)c1sc2nc(C(F)(F)F)c(C(=O)O)n2c1C
InChIInChI=1S/C10H7F3N2O3S/c1-3-6(4(2)16)19-9-14-7(10(11,12)13)5(8(17)18)15(3)9/h1-2H3,(H,17,18)
InChIKeyUFXVQRDGZPAPJU-UHFFFAOYSA-N
XLogP2.62
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[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

Related Compounds

2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035937
2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035935
6-tert-butyl-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83085807
3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035582
5,7-dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 115405181
3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035290
1-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 53403013
6-ethyl-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035945
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695
3-methyl-5-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carboxylic acid
CID 82372552
2,3-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83085911
3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035537

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035938) is 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CC(=O)c1sc2nc(C(F)(F)F)c(C(=O)O)n2c1C.
What is the InChIKey of 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is UFXVQRDGZPAPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S/c1-3-6(4(2)16)19-9-14-7(10(11,12)13)5(8(17)18)15(3)9/h1-2H3,(H,17,18).
What are the key properties of 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 292.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).