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

C19H22N2O2S — CID 82035472

IUPAC3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(C)c(-c3ccc(C(C)(C)C)cc3)n2c1C(=O)O
InChIInChI=1S/C19H22N2O2S/c1-6-14-16(17(22)23)21-15(11(2)24-18(21)20-14)12-7-9-13(10-8-12)19(3,4)5/h7-10H,6H2,1-5H3,(H,22,23)
InChIKeyOCMIQEFMLMEWKU-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.93
Rot. Bonds3

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

3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035472) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035472
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(C)c(-c3ccc(C(C)(C)C)cc3)n2c1C(=O)O
InChIInChI=1S/C19H22N2O2S/c1-6-14-16(17(22)23)21-15(11(2)24-18(21)20-14)12-7-9-13(10-8-12)19(3,4)5/h7-10H,6H2,1-5H3,(H,22,23)
InChIKeyOCMIQEFMLMEWKU-UHFFFAOYSA-N
XLogP4.93
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035633
3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035582
3-(4-tert-butylphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035482
2-ethyl-3-phenyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200447
3-(3,4-dichlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035528
3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035392
2-acetyl-6-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035935
1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430136
2-ethyl-3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035323
2,3-dimethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 79022456
3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198964

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035472) is 3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCc1nc2sc(C)c(-c3ccc(C(C)(C)C)cc3)n2c1C(=O)O.
What is the InChIKey of 3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is OCMIQEFMLMEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-6-14-16(17(22)23)21-15(11(2)24-18(21)20-14)12-7-9-13(10-8-12)19(3,4)5/h7-10H,6H2,1-5H3,(H,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 342.46 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).