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

C15H14N2O2S — CID 39199074

IUPAC3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(-c2c(C)sc3ncc(C=O)n23)cc1C
InChIInChI=1S/C15H14N2O2S/c1-9-6-11(4-5-13(9)19-3)14-10(2)20-15-16-7-12(8-18)17(14)15/h4-8H,1-3H3
InChIKeyCJZDMSXTGRNMMI-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.50
Rot. Bonds3

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

3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39199074) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39199074
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(-c2c(C)sc3ncc(C=O)n23)cc1C
InChIInChI=1S/C15H14N2O2S/c1-9-6-11(4-5-13(9)19-3)14-10(2)20-15-16-7-12(8-18)17(14)15/h4-8H,1-3H3
InChIKeyCJZDMSXTGRNMMI-UHFFFAOYSA-N
XLogP3.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.50
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

3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199083
3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198689
3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82061970
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 83970084
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol
CID 159042728
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 92936564
2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 146411679

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39199074) is 3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1ccc(-c2c(C)sc3ncc(C=O)n23)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is CJZDMSXTGRNMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-6-11(4-5-13(9)19-3)14-10(2)20-15-16-7-12(8-18)17(14)15/h4-8H,1-3H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 286.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39199074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).