3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C18H14N2O2S2 — CID 39198776

IUPAC3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1csc2nc(-c3cccs3)c(C=O)n12
InChIInChI=1S/C18H14N2O2S2/c1-2-22-15-7-4-3-6-12(15)14-11-24-18-19-17(13(10-21)20(14)18)16-8-5-9-23-16/h3-11H,2H2,1H3
InChIKeyJWDJVQMLAVINBF-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.00
Rot. Bonds5

About 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198776) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198776
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC Name3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1csc2nc(-c3cccs3)c(C=O)n12
InChIInChI=1S/C18H14N2O2S2/c1-2-22-15-7-4-3-6-12(15)14-11-24-18-19-17(13(10-21)20(14)18)16-8-5-9-23-16/h3-11H,2H2,1H3
InChIKeyJWDJVQMLAVINBF-UHFFFAOYSA-N
XLogP5.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198900
3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198748
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
3-(2-ethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068640
3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199009
3-(1,3-benzodioxol-5-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198778
5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
CID 82166848
3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035864
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198772
3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine
CID 82166846
3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62501713

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198776) is 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCOc1ccccc1-c1csc2nc(-c3cccs3)c(C=O)n12.
What is the InChIKey of 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is JWDJVQMLAVINBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c1-2-22-15-7-4-3-6-12(15)14-11-24-18-19-17(13(10-21)20(14)18)16-8-5-9-23-16/h3-11H,2H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 354.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).