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

C15H17NO2S — CID 82428830

IUPAC1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(COc2cccc(C)c2)sc1C(C)=O
InChIInChI=1S/C15H17NO2S/c1-4-13-15(11(3)17)19-14(16-13)9-18-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3
InChIKeyHYJASUZYFKOBEA-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.80
Rot. Bonds5

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

1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 82428830) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
PubChem CID82428830
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(COc2cccc(C)c2)sc1C(C)=O
InChIInChI=1S/C15H17NO2S/c1-4-13-15(11(3)17)19-14(16-13)9-18-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3
InChIKeyHYJASUZYFKOBEA-UHFFFAOYSA-N
XLogP3.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
1-[4-ethyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428810
4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428920
1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82295832
N-[[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82428819
N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612943
4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82425986
N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 16957722
1-[2-[(3,4-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82440517
4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428854
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone (CID 82428830) is 1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone is CCc1nc(COc2cccc(C)c2)sc1C(C)=O.
What is the InChIKey of 1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is HYJASUZYFKOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-13-15(11(3)17)19-14(16-13)9-18-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone?
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82428830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).