3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C15H14N2O2S — CID 39199083

IUPAC3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccc(-c2c(C)sc3ncc(C=O)n23)cc1
InChIInChI=1S/C15H14N2O2S/c1-3-19-13-6-4-11(5-7-13)14-10(2)20-15-16-8-12(9-18)17(14)15/h4-9H,3H2,1-2H3
InChIKeyQZGBASILSDRSSA-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.58
Rot. Bonds4

About 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39199083) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39199083
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccc(-c2c(C)sc3ncc(C=O)n23)cc1
InChIInChI=1S/C15H14N2O2S/c1-3-19-13-6-4-11(5-7-13)14-10(2)20-15-16-8-12(9-18)17(14)15/h4-9H,3H2,1-2H3
InChIKeyQZGBASILSDRSSA-UHFFFAOYSA-N
XLogP3.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062309
3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199074
2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199033
3-(4-ethoxyphenyl)-2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035582
3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 83970084
2-ethyl-6-methyl-3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198979
5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
CID 82061926
2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195164
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
N-[4-(4-ethoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 3335593
[2-methyl-3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062011
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39199083) is 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCOc1ccc(-c2c(C)sc3ncc(C=O)n23)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is QZGBASILSDRSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-19-13-6-4-11(5-7-13)14-10(2)20-15-16-8-12(9-18)17(14)15/h4-9H,3H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 286.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39199083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).