2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine

C17H16ClN3OS — CID 172893537

IUPAC2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine
SMILESClc1cncc(OCC2CN(Cc3csc4ccccc34)C2)n1
InChIInChI=1S/C17H16ClN3OS/c18-16-5-19-6-17(20-16)22-10-12-7-21(8-12)9-13-11-23-15-4-2-1-3-14(13)15/h1-6,11-12H,7-10H2
InChIKeyLQICKVAXXHZABE-UHFFFAOYSA-N
MW345.86 g/mol
LogP3.86
Rot. Bonds5

About 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine

2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine (PubChem CID 172893537) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine.

Molecular Properties

Compound Name2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine
PubChem CID172893537
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine
SMILESClc1cncc(OCC2CN(Cc3csc4ccccc34)C2)n1
InChIInChI=1S/C17H16ClN3OS/c18-16-5-19-6-17(20-16)22-10-12-7-21(8-12)9-13-11-23-15-4-2-1-3-14(13)15/h1-6,11-12H,7-10H2
InChIKeyLQICKVAXXHZABE-UHFFFAOYSA-N
XLogP3.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine?
The IUPAC name of 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine (CID 172893537) is 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine.
What is the SMILES notation for 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine?
The canonical SMILES for 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine is Clc1cncc(OCC2CN(Cc3csc4ccccc34)C2)n1.
What is the InChIKey of 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine?
The InChIKey is LQICKVAXXHZABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c18-16-5-19-6-17(20-16)22-10-12-7-21(8-12)9-13-11-23-15-4-2-1-3-14(13)15/h1-6,11-12H,7-10H2.
What are the key properties of 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine?
2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine has a molecular weight of 345.86 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-benzothiophen-3-ylmethyl)azetidin-3-yl]methoxy]-6-chloropyrazine is sourced from PubChem (CID 172893537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).