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

C15H17NO2S — CID 82516467

IUPAC1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone
SMILESCCc1ccccc1OCCc1nc(C(C)=O)cs1
InChIInChI=1S/C15H17NO2S/c1-3-12-6-4-5-7-14(12)18-9-8-15-16-13(10-19-15)11(2)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyYXUMXDMEJVNRDZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.53
Rot. Bonds6

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

1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 82516467) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone
PubChem CID82516467
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone
SMILESCCc1ccccc1OCCc1nc(C(C)=O)cs1
InChIInChI=1S/C15H17NO2S/c1-3-12-6-4-5-7-14(12)18-9-8-15-16-13(10-19-15)11(2)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyYXUMXDMEJVNRDZ-UHFFFAOYSA-N
XLogP3.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazole-4-carbothioamide
CID 82516473
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82516475
2-[3-(2-ethoxyphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 94760687
2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745513
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
2-[3-(2-phenylmethoxyphenyl)propyl]-1,3-thiazole-4-carboxylic acid
CID 18973803
2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169776
2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole-4-carboxylic acid
CID 94760695
1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone
CID 64544411
3-[2-(2-ethylphenoxy)ethyl]thiophene
CID 64764009
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone (CID 82516467) is 1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone is CCc1ccccc1OCCc1nc(C(C)=O)cs1.
What is the InChIKey of 1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is YXUMXDMEJVNRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-12-6-4-5-7-14(12)18-9-8-15-16-13(10-19-15)11(2)17/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 82516467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).