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

C16H19NO3S — CID 82429925

IUPAC1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(CCOc2ccc(OC)cc2)sc1C(C)=O
InChIInChI=1S/C16H19NO3S/c1-4-14-16(11(2)18)21-15(17-14)9-10-20-13-7-5-12(19-3)6-8-13/h5-8H,4,9-10H2,1-3H3
InChIKeyOVOJPOOZWMGHSM-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.54
Rot. Bonds7

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

1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 82429925) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
PubChem CID82429925
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(CCOc2ccc(OC)cc2)sc1C(C)=O
InChIInChI=1S/C16H19NO3S/c1-4-14-16(11(2)18)21-15(17-14)9-10-20-13-7-5-12(19-3)6-8-13/h5-8H,4,9-10H2,1-3H3
InChIKeyOVOJPOOZWMGHSM-UHFFFAOYSA-N
XLogP3.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429862
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
CID 83967534
2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94760645
4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
CID 82429750
1-[2-[2-(2-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82432483
N-[5-[2-(4-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 71946087
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
[2-[2-(4-ethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441054
1-[2-(4-aminobutyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 167544356
1-[4-ethyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428810

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone (CID 82429925) is 1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone is CCc1nc(CCOc2ccc(OC)cc2)sc1C(C)=O.
What is the InChIKey of 1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is OVOJPOOZWMGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-14-16(11(2)18)21-15(17-14)9-10-20-13-7-5-12(19-3)6-8-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone?
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 305.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82429925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).