1-(3-amino-1-benzothiophen-2-yl)ethanone

C10H9NOS — CID 3434239

IUPAC1-(3-amino-1-benzothiophen-2-yl)ethanone
SMILESCC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C10H9NOS/c1-6(12)10-9(11)7-4-2-3-5-8(7)13-10/h2-5H,11H2,1H3
InChIKeyBAJXNWBVSDWHSY-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.69
Rot. Bonds1

About 1-(3-amino-1-benzothiophen-2-yl)ethanone

1-(3-amino-1-benzothiophen-2-yl)ethanone (PubChem CID 3434239) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(3-amino-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-1-benzothiophen-2-yl)ethanone
PubChem CID3434239
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name1-(3-amino-1-benzothiophen-2-yl)ethanone
SMILESCC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C10H9NOS/c1-6(12)10-9(11)7-4-2-3-5-8(7)13-10/h2-5H,11H2,1H3
InChIKeyBAJXNWBVSDWHSY-UHFFFAOYSA-N
XLogP2.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1-benzothiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051
1-(3-chloro-1-benzothiophen-2-yl)ethanone;ethane
CID 142134856
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 114469852
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 115357356
3-amino-1-benzothiophene-2-carboximidamide
CID 19007369
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-benzothiophene-2-carboxamide
CID 79267136
3-amino-N-methyl-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide
CID 112666873
3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 71905421
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-1-benzothiophene-2-carboxamide
CID 106050602
3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 107421061
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102970975

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 1-(3-amino-1-benzothiophen-2-yl)ethanone (CID 3434239) is 1-(3-amino-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-1-benzothiophen-2-yl)ethanone is CC(=O)c1sc2ccccc2c1N.
What is the InChIKey of 1-(3-amino-1-benzothiophen-2-yl)ethanone?
The InChIKey is BAJXNWBVSDWHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-6(12)10-9(11)7-4-2-3-5-8(7)13-10/h2-5H,11H2,1H3.
What are the key properties of 1-(3-amino-1-benzothiophen-2-yl)ethanone?
1-(3-amino-1-benzothiophen-2-yl)ethanone has a molecular weight of 191.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 3434239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).