6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C15H11F3N2O3S — CID 82035586

IUPAC6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCOc1ccc(-c2cn3c(C(F)(F)F)c(C(=O)O)sc3n2)cc1
InChIInChI=1S/C15H11F3N2O3S/c1-2-23-9-5-3-8(4-6-9)10-7-20-12(15(16,17)18)11(13(21)22)24-14(20)19-10/h3-7H,2H2,1H3,(H,21,22)
InChIKeyHSHLLXBDMYPORV-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.18
Rot. Bonds4

About 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035586) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035586
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Name6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCOc1ccc(-c2cn3c(C(F)(F)F)c(C(=O)O)sc3n2)cc1
InChIInChI=1S/C15H11F3N2O3S/c1-2-23-9-5-3-8(4-6-9)10-7-20-12(15(16,17)18)11(13(21)22)24-14(20)19-10/h3-7H,2H2,1H3,(H,21,22)
InChIKeyHSHLLXBDMYPORV-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

6-[4-(2-methylprop-2-enoxy)phenyl]-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035880
ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224535
6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035505
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
10-(4-ethoxyphenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene-3-carboxylic acid
CID 82030728
6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035256
3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035582
3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227759
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 9146654
6-(4-methoxyphenyl)-3-methyl-N,N-dipropylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861721
N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523809
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035586) is 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCOc1ccc(-c2cn3c(C(F)(F)F)c(C(=O)O)sc3n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is HSHLLXBDMYPORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c1-2-23-9-5-3-8(4-6-9)10-7-20-12(15(16,17)18)11(13(21)22)24-14(20)19-10/h3-7H,2H2,1H3,(H,21,22).
What are the key properties of 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-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 6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).