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

C14H15NO2S — CID 55151683

IUPAC1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCc1cnc(C)s1
InChIInChI=1S/C14H15NO2S/c1-9-4-5-13(10(2)16)14(6-9)17-8-12-7-15-11(3)18-12/h4-7H,8H2,1-3H3
InChIKeyUIOOYINIZZMKOQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.54
Rot. Bonds4

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

1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone (PubChem CID 55151683) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone
PubChem CID55151683
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCc1cnc(C)s1
InChIInChI=1S/C14H15NO2S/c1-9-4-5-13(10(2)16)14(6-9)17-8-12-7-15-11(3)18-12/h4-7H,8H2,1-3H3
InChIKeyUIOOYINIZZMKOQ-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 82995712
1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267704
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66154216
1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
CID 63651270
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
2-[(2-methyl-1,3-thiazol-5-yl)methoxy]-5-nitrobenzoic acid
CID 63020472
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63883310
1-(2-hexoxy-4-methylphenyl)ethanone
CID 60778715
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
1-[4-methyl-2-[(4-nitrophenyl)methoxy]phenyl]ethanone
CID 60701241

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone (CID 55151683) is 1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(C)cc1OCc1cnc(C)s1.
What is the InChIKey of 1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone?
The InChIKey is UIOOYINIZZMKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-4-5-13(10(2)16)14(6-9)17-8-12-7-15-11(3)18-12/h4-7H,8H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone?
1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone has a molecular weight of 261.35 g/mol, XLogP of 3.54, 4 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-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 55151683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).