3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C16H13F3N2O3S — CID 82035582

IUPAC3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCOc1ccc(-c2c(C)sc3nc(C(F)(F)F)c(C(=O)O)n23)cc1
InChIInChI=1S/C16H13F3N2O3S/c1-3-24-10-6-4-9(5-7-10)11-8(2)25-15-20-13(16(17,18)19)12(14(22)23)21(11)15/h4-7H,3H2,1-2H3,(H,22,23)
InChIKeyPELUTNUJNIDYOD-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.49
Rot. Bonds4

About 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035582) has the molecular formula C16H13F3N2O3S and a molecular weight of 370.35 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035582
Molecular FormulaC16H13F3N2O3S
Molecular Weight370.35 g/mol
Exact Mass370.06
IUPAC Name3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCOc1ccc(-c2c(C)sc3nc(C(F)(F)F)c(C(=O)O)n23)cc1
InChIInChI=1S/C16H13F3N2O3S/c1-3-24-10-6-4-9(5-7-10)11-8(2)25-15-20-13(16(17,18)19)12(14(22)23)21(11)15/h4-7H,3H2,1-2H3,(H,22,23)
InChIKeyPELUTNUJNIDYOD-UHFFFAOYSA-N
XLogP4.49
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035290
3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035472
2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035633
3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199083
3-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035884
6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035586
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062309
2-ethyl-6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035892
3-(3,4-dichlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035528
3-[(4-ethoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82301541
5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510956

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035582) is 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCOc1ccc(-c2c(C)sc3nc(C(F)(F)F)c(C(=O)O)n23)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is PELUTNUJNIDYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S/c1-3-24-10-6-4-9(5-7-10)11-8(2)25-15-20-13(16(17,18)19)12(14(22)23)21(11)15/h4-7H,3H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 370.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).