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

C17H16N2O4S — CID 82035422

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(C)c(-c3ccc4c(c3)OCCO4)n2c1C(=O)O
InChIInChI=1S/C17H16N2O4S/c1-3-11-15(16(20)21)19-14(9(2)24-17(19)18-11)10-4-5-12-13(8-10)23-7-6-22-12/h4-5,8H,3,6-7H2,1-2H3,(H,20,21)
InChIKeySRLLLUBNOKWQCF-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.40
Rot. Bonds3

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035422) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035422
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCc1nc2sc(C)c(-c3ccc4c(c3)OCCO4)n2c1C(=O)O
InChIInChI=1S/C17H16N2O4S/c1-3-11-15(16(20)21)19-14(9(2)24-17(19)18-11)10-4-5-12-13(8-10)23-7-6-22-12/h4-5,8H,3,6-7H2,1-2H3,(H,20,21)
InChIKeySRLLLUBNOKWQCF-UHFFFAOYSA-N
XLogP3.40
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035472
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198328
2,6-diethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035727
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199065
2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035633
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid
CID 116532959
3-(2,4-dimethylphenyl)-2-methyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035392
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035694
[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062099
6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068822
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036157

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035422) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCc1nc2sc(C)c(-c3ccc4c(c3)OCCO4)n2c1C(=O)O.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is SRLLLUBNOKWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-3-11-15(16(20)21)19-14(9(2)24-17(19)18-11)10-4-5-12-13(8-10)23-7-6-22-12/h4-5,8H,3,6-7H2,1-2H3,(H,20,21).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).