6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C17H18N2O2S — CID 92914143

IUPAC6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(-c2ccc(C)cc2C)nc2sc(C(=O)O)c(C)n12
InChIInChI=1S/C17H18N2O2S/c1-5-13-14(12-7-6-9(2)8-10(12)3)18-17-19(13)11(4)15(22-17)16(20)21/h6-8H,5H2,1-4H3,(H,20,21)
InChIKeyHSCQWICVQXIQCK-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.25
Rot. Bonds3

About 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 92914143) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID92914143
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(-c2ccc(C)cc2C)nc2sc(C(=O)O)c(C)n12
InChIInChI=1S/C17H18N2O2S/c1-5-13-14(12-7-6-9(2)8-10(12)3)18-17-19(13)11(4)15(22-17)16(20)21/h6-8H,5H2,1-4H3,(H,20,21)
InChIKeyHSCQWICVQXIQCK-UHFFFAOYSA-N
XLogP4.25
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200633
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 94700101
6-ethyl-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035945
6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227755
3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035242
3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035392
2-[4-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 3159723
6-(4-methoxy-3-methylphenyl)-5-methyl-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035494
6-ethyl-3-methyl-7-[2-(2-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54520647
3,5-diethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035646
2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069390

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 92914143) is 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCc1c(-c2ccc(C)cc2C)nc2sc(C(=O)O)c(C)n12.
What is the InChIKey of 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is HSCQWICVQXIQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-5-13-14(12-7-6-9(2)8-10(12)3)18-17-19(13)11(4)15(22-17)16(20)21/h6-8H,5H2,1-4H3,(H,20,21).
What are the key properties of 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 92914143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).