2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

C19H19FN2S — CID 11616834

IUPAC2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESC=C(c1ncccc1F)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C19H19FN2S/c1-13(19-15(20)8-6-11-21-19)18-14-7-4-5-9-16(14)23-17(18)10-12-22(2)3/h4-9,11H,1,10,12H2,2-3H3
InChIKeyRWFUGNGGDGHONL-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.60
Rot. Bonds5

About 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (PubChem CID 11616834) has the molecular formula C19H19FN2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
PubChem CID11616834
Molecular FormulaC19H19FN2S
Molecular Weight326.44 g/mol
Exact Mass326.13
IUPAC Name2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESC=C(c1ncccc1F)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C19H19FN2S/c1-13(19-15(20)8-6-11-21-19)18-14-7-4-5-9-16(14)23-17(18)10-12-22(2)3/h4-9,11H,1,10,12H2,2-3H3
InChIKeyRWFUGNGGDGHONL-UHFFFAOYSA-N
XLogP4.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine 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-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (CID 11616834) is 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is C=C(c1ncccc1F)c1c(CCN(C)C)sc2ccccc12.
What is the InChIKey of 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The InChIKey is RWFUGNGGDGHONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2S/c1-13(19-15(20)8-6-11-21-19)18-14-7-4-5-9-16(14)23-17(18)10-12-22(2)3/h4-9,11H,1,10,12H2,2-3H3.
What are the key properties of 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine has a molecular weight of 326.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(3-fluoro-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11616834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).