1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone

C15H17NO2S — CID 63651606

IUPAC1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCCc1scnc1C
InChIInChI=1S/C15H17NO2S/c1-10-4-5-13(12(3)17)14(8-10)18-7-6-15-11(2)16-9-19-15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYOBQCYLXTAKOEN-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.58
Rot. Bonds5

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

1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone (PubChem CID 63651606) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone
PubChem CID63651606
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCCc1scnc1C
InChIInChI=1S/C15H17NO2S/c1-10-4-5-13(12(3)17)14(8-10)18-7-6-15-11(2)16-9-19-15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYOBQCYLXTAKOEN-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
CID 55035243
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-nitrophenyl]ethanone
CID 104613756
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445
1-(2-hexoxy-4-methylphenyl)ethanone
CID 60778715
1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687479
2-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethoxy]benzoic acid
CID 43532271
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
methyl 3-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoate
CID 115935655
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 62948313
[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanol
CID 113223111
1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
CID 63651270

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone (CID 63651606) is 1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone is CC(=O)c1ccc(C)cc1OCCc1scnc1C.
What is the InChIKey of 1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone?
The InChIKey is YOBQCYLXTAKOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-4-5-13(12(3)17)14(8-10)18-7-6-15-11(2)16-9-19-15/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone?
1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 63651606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).