2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone

C10H8BrNOS — CID 82625549

IUPAC2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone
SMILESNCC(=O)c1cc2ccc(Br)cc2s1
InChIInChI=1S/C10H8BrNOS/c11-7-2-1-6-3-10(8(13)5-12)14-9(6)4-7/h1-4H,5,12H2
InChIKeyWZDVRYWNJCHNJV-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.81
Rot. Bonds2

About 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone

2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone (PubChem CID 82625549) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone
PubChem CID82625549
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone
SMILESNCC(=O)c1cc2ccc(Br)cc2s1
InChIInChI=1S/C10H8BrNOS/c11-7-2-1-6-3-10(8(13)5-12)14-9(6)4-7/h1-4H,5,12H2
InChIKeyWZDVRYWNJCHNJV-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(6-bromo-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone (CID 82625549) is 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone is NCC(=O)c1cc2ccc(Br)cc2s1.
What is the InChIKey of 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone?
The InChIKey is WZDVRYWNJCHNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c11-7-2-1-6-3-10(8(13)5-12)14-9(6)4-7/h1-4H,5,12H2.
What are the key properties of 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone?
2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone has a molecular weight of 270.15 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 82625549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).