2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

C20H22N2OS — CID 11559143

IUPAC2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESC=C(c1cccc(OC)n1)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C20H22N2OS/c1-14(16-9-7-11-19(21-16)23-4)20-15-8-5-6-10-17(15)24-18(20)12-13-22(2)3/h5-11H,1,12-13H2,2-4H3
InChIKeyGPDYKUPDIXWIBW-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.47
Rot. Bonds6

About 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (PubChem CID 11559143) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
PubChem CID11559143
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESC=C(c1cccc(OC)n1)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C20H22N2OS/c1-14(16-9-7-11-19(21-16)23-4)20-15-8-5-6-10-17(15)24-18(20)12-13-22(2)3/h5-11H,1,12-13H2,2-4H3
InChIKeyGPDYKUPDIXWIBW-UHFFFAOYSA-N
XLogP4.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (CID 11559143) is 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is C=C(c1cccc(OC)n1)c1c(CCN(C)C)sc2ccccc12.
What is the InChIKey of 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The InChIKey is GPDYKUPDIXWIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-14(16-9-7-11-19(21-16)23-4)20-15-8-5-6-10-17(15)24-18(20)12-13-22(2)3/h5-11H,1,12-13H2,2-4H3.
What are the key properties of 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine has a molecular weight of 338.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(6-methoxy-2-pyridinyl)ethenyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11559143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).