1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C14H13NO2S — CID 114744076

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2cccc3c2OCC3)cs1
InChIInChI=1S/C14H13NO2S/c1-9-15-11(8-18-9)7-13(16)12-4-2-3-10-5-6-17-14(10)12/h2-4,8H,5-7H2,1H3
InChIKeyZRUXDXINAZSLLT-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.81
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 114744076) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID114744076
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)c2cccc3c2OCC3)cs1
InChIInChI=1S/C14H13NO2S/c1-9-15-11(8-18-9)7-13(16)12-4-2-3-10-5-6-17-14(10)12/h2-4,8H,5-7H2,1H3
InChIKeyZRUXDXINAZSLLT-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979463
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one
CID 105135090
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107469186
1-(2,3-dihydro-1-benzofuran-7-yl)-2-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
CID 165054044
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
CID 105135051

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 114744076) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)c2cccc3c2OCC3)cs1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is ZRUXDXINAZSLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-9-15-11(8-18-9)7-13(16)12-4-2-3-10-5-6-17-14(10)12/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 259.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 114744076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).