1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one

C14H15NO3S — CID 107508099

IUPAC1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
SMILESCOCC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C14H15NO3S/c1-10-9-19-14(15-10)11-3-5-13(6-4-11)18-8-12(16)7-17-2/h3-6,9H,7-8H2,1-2H3
InChIKeyINUFWUFQCOSWII-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.71
Rot. Bonds6

About 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one

1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one (PubChem CID 107508099) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
PubChem CID107508099
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
SMILESCOCC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C14H15NO3S/c1-10-9-19-14(15-10)11-3-5-13(6-4-11)18-8-12(16)7-17-2/h3-6,9H,7-8H2,1-2H3
InChIKeyINUFWUFQCOSWII-UHFFFAOYSA-N
XLogP2.71
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
3-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77005623
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
2,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 79622789
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
methyl (2S)-4-methyl-2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]pentanoate
CID 9123652
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
1-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]imidazolidin-2-one
CID 9123447
4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570309
N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123769
N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123727

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one?
The IUPAC name of 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one (CID 107508099) is 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one.
What is the SMILES notation for 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one?
The canonical SMILES for 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one is COCC(=O)COc1ccc(-c2nc(C)cs2)cc1.
What is the InChIKey of 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one?
The InChIKey is INUFWUFQCOSWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-9-19-14(15-10)11-3-5-13(6-4-11)18-8-12(16)7-17-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one?
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one has a molecular weight of 277.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one is sourced from PubChem (CID 107508099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).