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

C13H13NO2S — CID 82295832

IUPAC1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(COc2cccc(C)c2)n1
InChIInChI=1S/C13H13NO2S/c1-9-4-3-5-11(6-9)16-7-13-14-12(8-17-13)10(2)15/h3-6,8H,7H2,1-2H3
InChIKeyJXPPJYMCJVJTML-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.23
Rot. Bonds4

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

1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 82295832) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID82295832
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(COc2cccc(C)c2)n1
InChIInChI=1S/C13H13NO2S/c1-9-4-3-5-11(6-9)16-7-13-14-12(8-17-13)10(2)15/h3-6,8H,7H2,1-2H3
InChIKeyJXPPJYMCJVJTML-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82308939
1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82304946
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 24712422
1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82302284
2-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 7745420
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
2-[3-(3-methylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 82054904
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
1-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 64544006
N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 24714844

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone (CID 82295832) is 1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(COc2cccc(C)c2)n1.
What is the InChIKey of 1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is JXPPJYMCJVJTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-4-3-5-11(6-9)16-7-13-14-12(8-17-13)10(2)15/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 247.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 82295832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).