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

C10H7F3N2O3S — CID 82035934

IUPAC5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCC(=O)c1c(C)nc2sc(C(=O)O)c(C(F)(F)F)n12
InChIInChI=1S/C10H7F3N2O3S/c1-3-5(4(2)16)15-7(10(11,12)13)6(8(17)18)19-9(15)14-3/h1-2H3,(H,17,18)
InChIKeyRHSDVJVJFCCWRB-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.62
Rot. Bonds2

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

5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035934) has the molecular formula C10H7F3N2O3S and a molecular weight of 292.24 g/mol. Its IUPAC name is 5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035934
Molecular FormulaC10H7F3N2O3S
Molecular Weight292.24 g/mol
Exact Mass292.01
IUPAC Name5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCC(=O)c1c(C)nc2sc(C(=O)O)c(C(F)(F)F)n12
InChIInChI=1S/C10H7F3N2O3S/c1-3-5(4(2)16)15-7(10(11,12)13)6(8(17)18)19-9(15)14-3/h1-2H3,(H,17,18)
InChIKeyRHSDVJVJFCCWRB-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 5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[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-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035934) is 5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CC(=O)c1c(C)nc2sc(C(=O)O)c(C(F)(F)F)n12.
What is the InChIKey of 5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is RHSDVJVJFCCWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S/c1-3-5(4(2)16)15-7(10(11,12)13)6(8(17)18)19-9(15)14-3/h1-2H3,(H,17,18).
What are the key properties of 5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-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 5-acetyl-6-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).