1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone

C16H19NO2S — CID 62031543

IUPAC1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
SMILESCCc1ccc(C(=O)COCCc2scnc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-3-13-4-6-14(7-5-13)15(18)10-19-9-8-16-12(2)17-11-20-16/h4-7,11H,3,8-10H2,1-2H3
InChIKeyJYVSATJMCFHKEM-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.46
Rot. Bonds7

About 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone

1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone (PubChem CID 62031543) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
PubChem CID62031543
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
SMILESCCc1ccc(C(=O)COCCc2scnc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-3-13-4-6-14(7-5-13)15(18)10-19-9-8-16-12(2)17-11-20-16/h4-7,11H,3,8-10H2,1-2H3
InChIKeyJYVSATJMCFHKEM-UHFFFAOYSA-N
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62029259
1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62030972
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1-phenylbutan-1-one
CID 62030778
1-(2,5-dibromothiophen-3-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62031359
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
N-ethyl-2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]ethanamine
CID 105349386
2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]propanoic acid
CID 105344837
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 78804194
1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone
CID 69354828
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
CID 86939183

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone (CID 62031543) is 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone is CCc1ccc(C(=O)COCCc2scnc2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone?
The InChIKey is JYVSATJMCFHKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-13-4-6-14(7-5-13)15(18)10-19-9-8-16-12(2)17-11-20-16/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone?
1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone has a molecular weight of 289.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone is sourced from PubChem (CID 62031543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).