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

C15H16FNO2S — CID 82429862

IUPAC1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(CCOc2ccccc2F)sc1C(C)=O
InChIInChI=1S/C15H16FNO2S/c1-3-12-15(10(2)18)20-14(17-12)8-9-19-13-7-5-4-6-11(13)16/h4-7H,3,8-9H2,1-2H3
InChIKeyQIRZRQTZGHYONF-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.67
Rot. Bonds6

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

1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 82429862) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
PubChem CID82429862
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(CCOc2ccccc2F)sc1C(C)=O
InChIInChI=1S/C15H16FNO2S/c1-3-12-15(10(2)18)20-14(17-12)8-9-19-13-7-5-4-6-11(13)16/h4-7H,3,8-9H2,1-2H3
InChIKeyQIRZRQTZGHYONF-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429727
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429925
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
4-ethyl-2-[3-(2-ethylphenoxy)propyl]-1,3-thiazole-5-carboxylic acid
CID 94760604
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154567007
1-[2-(4-aminobutyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 167544356
2-[(2-fluorophenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431947
2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94760645
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
4-(2-fluorophenoxy)butan-2-one
CID 28948853
4-methyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874792

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone (CID 82429862) is 1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone is CCc1nc(CCOc2ccccc2F)sc1C(C)=O.
What is the InChIKey of 1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is QIRZRQTZGHYONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-3-12-15(10(2)18)20-14(17-12)8-9-19-13-7-5-4-6-11(13)16/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 293.36 g/mol, XLogP of 3.67, 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-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82429862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).