1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone

C15H14N2O2S — CID 62051653

IUPAC1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1cc2ccccc2o1)Cc1cscn1
InChIInChI=1S/C15H14N2O2S/c1-17(7-12-9-20-10-16-12)8-13(18)15-6-11-4-2-3-5-14(11)19-15/h2-6,9-10H,7-8H2,1H3
InChIKeyOAUGQMDUMFEWFO-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.20
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone

1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone (PubChem CID 62051653) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
PubChem CID62051653
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1cc2ccccc2o1)Cc1cscn1
InChIInChI=1S/C15H14N2O2S/c1-17(7-12-9-20-10-16-12)8-13(18)15-6-11-4-2-3-5-14(11)19-15/h2-6,9-10H,7-8H2,1H3
InChIKeyOAUGQMDUMFEWFO-UHFFFAOYSA-N
XLogP3.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850207
1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62051055
N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 55013341
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831691
1-(1-benzofuran-2-yl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552679
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
3-[[2-(1-benzofuran-2-yl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223390
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone (CID 62051653) is 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone is CN(CC(=O)c1cc2ccccc2o1)Cc1cscn1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The InChIKey is OAUGQMDUMFEWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-17(7-12-9-20-10-16-12)8-13(18)15-6-11-4-2-3-5-14(11)19-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone has a molecular weight of 286.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 62051653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).