1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone

C14H15NO2S — CID 82302277

IUPAC1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCOc1c(C)cc(C)cc1-c1csc(C(C)=O)n1
InChIInChI=1S/C14H15NO2S/c1-8-5-9(2)13(17-4)11(6-8)12-7-18-14(15-12)10(3)16/h5-7H,1-4H3
InChIKeyQVUZHCHJWGYLSD-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.64
Rot. Bonds3

About 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone

1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 82302277) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID82302277
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
SMILESCOc1c(C)cc(C)cc1-c1csc(C(C)=O)n1
InChIInChI=1S/C14H15NO2S/c1-8-5-9(2)13(17-4)11(6-8)12-7-18-14(15-12)10(3)16/h5-7H,1-4H3
InChIKeyQVUZHCHJWGYLSD-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 82308937
1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82301242
1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 116867500
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
CID 116967848
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
CID 116903911
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748
1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
CID 65194405
2-(2-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356927

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone (CID 82302277) is 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone is COc1c(C)cc(C)cc1-c1csc(C(C)=O)n1.
What is the InChIKey of 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is QVUZHCHJWGYLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-8-5-9(2)13(17-4)11(6-8)12-7-18-14(15-12)10(3)16/h5-7H,1-4H3.
What are the key properties of 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 261.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 82302277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).