2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine

C13H13Cl2N3OS — CID 172905050

IUPAC2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine
SMILESClc1cncc(OCC2CN(Cc3ccc(Cl)s3)C2)n1
InChIInChI=1S/C13H13Cl2N3OS/c14-11-3-16-4-13(17-11)19-8-9-5-18(6-9)7-10-1-2-12(15)20-10/h1-4,9H,5-8H2
InChIKeyQPLZESHPKFLRAR-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.36
Rot. Bonds5

About 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine

2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine (PubChem CID 172905050) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine
PubChem CID172905050
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine
SMILESClc1cncc(OCC2CN(Cc3ccc(Cl)s3)C2)n1
InChIInChI=1S/C13H13Cl2N3OS/c14-11-3-16-4-13(17-11)19-8-9-5-18(6-9)7-10-1-2-12(15)20-10/h1-4,9H,5-8H2
InChIKeyQPLZESHPKFLRAR-UHFFFAOYSA-N
XLogP3.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine?
The IUPAC name of 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine (CID 172905050) is 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine.
What is the SMILES notation for 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine?
The canonical SMILES for 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine is Clc1cncc(OCC2CN(Cc3ccc(Cl)s3)C2)n1.
What is the InChIKey of 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine?
The InChIKey is QPLZESHPKFLRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c14-11-3-16-4-13(17-11)19-8-9-5-18(6-9)7-10-1-2-12(15)20-10/h1-4,9H,5-8H2.
What are the key properties of 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine?
2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine has a molecular weight of 330.24 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine is sourced from PubChem (CID 172905050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).