4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde

C14H15NO2S — CID 116867294

IUPAC4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCOc1cc(C)cc(C)c1-c1nc(C=O)sc1C
InChIInChI=1S/C14H15NO2S/c1-8-5-9(2)13(11(6-8)17-4)14-10(3)18-12(7-16)15-14/h5-7H,1-4H3
InChIKeyFTKKDWAFEHBXQY-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.56
Rot. Bonds3

About 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde

4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde (PubChem CID 116867294) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
PubChem CID116867294
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCOc1cc(C)cc(C)c1-c1nc(C=O)sc1C
InChIInChI=1S/C14H15NO2S/c1-8-5-9(2)13(11(6-8)17-4)14-10(3)18-12(7-16)15-14/h5-7H,1-4H3
InChIKeyFTKKDWAFEHBXQY-UHFFFAOYSA-N
XLogP3.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde
CID 106681400
4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
CID 116900259
4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde
CID 138991010
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100
3-(2-methoxy-4,6-dimethylphenyl)-N,5,6-trimethylpyrazin-2-amine
CID 106681508
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
2-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 106681484
5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054
5-methoxy-6-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-amine
CID 106681516
2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
CID 82135463

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde (CID 116867294) is 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde is COc1cc(C)cc(C)c1-c1nc(C=O)sc1C.
What is the InChIKey of 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is FTKKDWAFEHBXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-8-5-9(2)13(11(6-8)17-4)14-10(3)18-12(7-16)15-14/h5-7H,1-4H3.
What are the key properties of 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde?
4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 261.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 116867294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).