1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone

C13H11NO2S — CID 112642467

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1COc2ccccc21
InChIInChI=1S/C13H11NO2S/c15-12(5-9-6-14-8-17-9)11-7-16-13-4-2-1-3-10(11)13/h1-4,6,8,11H,5,7H2
InChIKeyPFXCBDIIFNCHGT-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.43
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642467) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642467
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1COc2ccccc21
InChIInChI=1S/C13H11NO2S/c15-12(5-9-6-14-8-17-9)11-7-16-13-4-2-1-3-10(11)13/h1-4,6,8,11H,5,7H2
InChIKeyPFXCBDIIFNCHGT-UHFFFAOYSA-N
XLogP2.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 116598213
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81118525
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642357
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 116579911
(3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96518342

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 112642467) is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)C1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is PFXCBDIIFNCHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-12(5-9-6-14-8-17-9)11-7-16-13-4-2-1-3-10(11)13/h1-4,6,8,11H,5,7H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 245.30 g/mol, XLogP of 2.43, 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-3-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).