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

C15H11F3N2O3S — CID 82035864

IUPAC3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCOc1ccccc1-c1csc2nc(C(F)(F)F)c(C(=O)O)n12
InChIInChI=1S/C15H11F3N2O3S/c1-2-23-10-6-4-3-5-8(10)9-7-24-14-19-12(15(16,17)18)11(13(21)22)20(9)14/h3-7H,2H2,1H3,(H,21,22)
InChIKeyHKWNAERNTFVSNJ-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.18
Rot. Bonds4

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

3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035864) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035864
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Name3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCOc1ccccc1-c1csc2nc(C(F)(F)F)c(C(=O)O)n12
InChIInChI=1S/C15H11F3N2O3S/c1-2-23-10-6-4-3-5-8(10)9-7-24-14-19-12(15(16,17)18)11(13(21)22)20(9)14/h3-7H,2H2,1H3,(H,21,22)
InChIKeyHKWNAERNTFVSNJ-UHFFFAOYSA-N
XLogP4.18
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
CID 82166848
3-(2-ethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068640
3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035537
3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198776
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035582
3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine
CID 82166846
4-tert-butyl-2-(2-ethoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 114372930
2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062481
2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276870
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3338842

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035864) is 3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCOc1ccccc1-c1csc2nc(C(F)(F)F)c(C(=O)O)n12.
What is the InChIKey of 3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is HKWNAERNTFVSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c1-2-23-10-6-4-3-5-8(10)9-7-24-14-19-12(15(16,17)18)11(13(21)22)20(9)14/h3-7H,2H2,1H3,(H,21,22).
What are the key properties of 3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 356.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).