1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone

C14H11NO2S — CID 59656642

IUPAC1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone
SMILESCC(=O)c1sc2c(-c3ccoc3)cccc2c1N
InChIInChI=1S/C14H11NO2S/c1-8(16)13-12(15)11-4-2-3-10(14(11)18-13)9-5-6-17-7-9/h2-7H,15H2,1H3
InChIKeyRUBAUNQZZVBNSG-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.95
Rot. Bonds2

About 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone

1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone (PubChem CID 59656642) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone
PubChem CID59656642
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone
SMILESCC(=O)c1sc2c(-c3ccoc3)cccc2c1N
InChIInChI=1S/C14H11NO2S/c1-8(16)13-12(15)11-4-2-3-10(14(11)18-13)9-5-6-17-7-9/h2-7H,15H2,1H3
InChIKeyRUBAUNQZZVBNSG-UHFFFAOYSA-N
XLogP3.95
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone (CID 59656642) is 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone is CC(=O)c1sc2c(-c3ccoc3)cccc2c1N.
What is the InChIKey of 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone?
The InChIKey is RUBAUNQZZVBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-8(16)13-12(15)11-4-2-3-10(14(11)18-13)9-5-6-17-7-9/h2-7H,15H2,1H3.
What are the key properties of 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone?
1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone has a molecular weight of 257.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-7-(furan-3-yl)-1-benzothiophen-2-yl]ethanone is sourced from PubChem (CID 59656642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).