1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone

C16H19NO2S — CID 82429727

IUPAC1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(CCOc2ccccc2C)sc1C(C)=O
InChIInChI=1S/C16H19NO2S/c1-4-13-16(12(3)18)20-15(17-13)9-10-19-14-8-6-5-7-11(14)2/h5-8H,4,9-10H2,1-3H3
InChIKeyOTDKEZDULPHQFC-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.84
Rot. Bonds6

About 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone

1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 82429727) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
PubChem CID82429727
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(CCOc2ccccc2C)sc1C(C)=O
InChIInChI=1S/C16H19NO2S/c1-4-13-16(12(3)18)20-15(17-13)9-10-19-14-8-6-5-7-11(14)2/h5-8H,4,9-10H2,1-3H3
InChIKeyOTDKEZDULPHQFC-UHFFFAOYSA-N
XLogP3.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(2-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82432483
1-[4-ethyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428810
1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429862
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429925
4-methyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874792
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429728
4-ethyl-2-[3-(2-ethylphenoxy)propyl]-1,3-thiazole-5-carboxylic acid
CID 94760604
2-[3-(2,5-dimethylphenoxy)propyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760607
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 82428234
2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191076
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone (CID 82429727) is 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone is CCc1nc(CCOc2ccccc2C)sc1C(C)=O.
What is the InChIKey of 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is OTDKEZDULPHQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-13-16(12(3)18)20-15(17-13)9-10-19-14-8-6-5-7-11(14)2/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 289.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82429727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).