3-(1-benzothiophen-6-yl)azetidin-3-amine

C11H12N2S — CID 166608917

IUPAC3-(1-benzothiophen-6-yl)azetidin-3-amine
SMILESNC1(c2ccc3ccsc3c2)CNC1
InChIInChI=1S/C11H12N2S/c12-11(6-13-7-11)9-2-1-8-3-4-14-10(8)5-9/h1-5,13H,6-7,12H2
InChIKeyQPDDREZYSXRFJP-UHFFFAOYSA-N
MW204.30 g/mol
LogP1.66
Rot. Bonds1

About 3-(1-benzothiophen-6-yl)azetidin-3-amine

3-(1-benzothiophen-6-yl)azetidin-3-amine (PubChem CID 166608917) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-(1-benzothiophen-6-yl)azetidin-3-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-6-yl)azetidin-3-amine
PubChem CID166608917
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-(1-benzothiophen-6-yl)azetidin-3-amine
SMILESNC1(c2ccc3ccsc3c2)CNC1
InChIInChI=1S/C11H12N2S/c12-11(6-13-7-11)9-2-1-8-3-4-14-10(8)5-9/h1-5,13H,6-7,12H2
InChIKeyQPDDREZYSXRFJP-UHFFFAOYSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzothiophen-6-yl)azetidin-3-amine 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 3-(1-benzothiophen-6-yl)azetidin-3-amine?
The IUPAC name of 3-(1-benzothiophen-6-yl)azetidin-3-amine (CID 166608917) is 3-(1-benzothiophen-6-yl)azetidin-3-amine.
What is the SMILES notation for 3-(1-benzothiophen-6-yl)azetidin-3-amine?
The canonical SMILES for 3-(1-benzothiophen-6-yl)azetidin-3-amine is NC1(c2ccc3ccsc3c2)CNC1.
What is the InChIKey of 3-(1-benzothiophen-6-yl)azetidin-3-amine?
The InChIKey is QPDDREZYSXRFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c12-11(6-13-7-11)9-2-1-8-3-4-14-10(8)5-9/h1-5,13H,6-7,12H2.
What are the key properties of 3-(1-benzothiophen-6-yl)azetidin-3-amine?
3-(1-benzothiophen-6-yl)azetidin-3-amine has a molecular weight of 204.30 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-6-yl)azetidin-3-amine is sourced from PubChem (CID 166608917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).