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

C12H11NO2S — CID 2744803

IUPAC1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(COc2ccccc2)n1
InChIInChI=1S/C12H11NO2S/c1-9(14)11-8-16-12(13-11)7-15-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyKJZVZLATESJBAT-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.92
Rot. Bonds4

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

1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 2744803) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID2744803
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(COc2ccccc2)n1
InChIInChI=1S/C12H11NO2S/c1-9(14)11-8-16-12(13-11)7-15-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyKJZVZLATESJBAT-UHFFFAOYSA-N
XLogP2.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82295832
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
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
2-[(4-bromophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187087
1-[2-[[(4-phenylmethoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-4-yl]ethanone
CID 118067488
1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82302284
2-benzoyloxyethyl 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 43056522

Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone (CID 2744803) is 1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(COc2ccccc2)n1.
What is the InChIKey of 1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is KJZVZLATESJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-9(14)11-8-16-12(13-11)7-15-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 233.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 2744803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).