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

C17H18N2O2S — CID 39200633

IUPAC3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1ccc(-c2nc3sc(C(=O)O)c(CC)n3c2C)cc1
InChIInChI=1S/C17H18N2O2S/c1-4-11-6-8-12(9-7-11)14-10(3)19-13(5-2)15(16(20)21)22-17(19)18-14/h6-9H,4-5H2,1-3H3,(H,20,21)
InChIKeyOZSKQSGINYTZBX-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.19
Rot. Bonds4

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

3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 39200633) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID39200633
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1ccc(-c2nc3sc(C(=O)O)c(CC)n3c2C)cc1
InChIInChI=1S/C17H18N2O2S/c1-4-11-6-8-12(9-7-11)14-10(3)19-13(5-2)15(16(20)21)22-17(19)18-14/h6-9H,4-5H2,1-3H3,(H,20,21)
InChIKeyOZSKQSGINYTZBX-UHFFFAOYSA-N
XLogP4.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
6-(4-ethylphenyl)-5-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227732
6-(4-ethylphenyl)-2,3,5-trimethylimidazo[2,1-b][1,3]thiazole
CID 83086720
3,5-diethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035646
5-methyl-6-(4-propan-2-yloxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035630
3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035242
6-(4-methoxy-3-methylphenyl)-5-methyl-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035494
6-(3,4-dimethoxyphenyl)-3,5-diethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035683
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349
6-(2,4-dimethylphenyl)-5-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914143
3-cyclopropyl-6-(4-methoxyphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227751
5-methyl-6-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035773

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 39200633) is 3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCc1ccc(-c2nc3sc(C(=O)O)c(CC)n3c2C)cc1.
What is the InChIKey of 3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is OZSKQSGINYTZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-11-6-8-12(9-7-11)14-10(3)19-13(5-2)15(16(20)21)22-17(19)18-14/h6-9H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 39200633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).