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

C14H16ClN3OS — CID 172905012

IUPAC2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine
SMILESCc1ccc(CN2CC(COc3cncc(Cl)n3)C2)s1
InChIInChI=1S/C14H16ClN3OS/c1-10-2-3-12(20-10)8-18-6-11(7-18)9-19-14-5-16-4-13(15)17-14/h2-5,11H,6-9H2,1H3
InChIKeyOSDLYTPENCYPCG-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.01
Rot. Bonds5

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

2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine (PubChem CID 172905012) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine
PubChem CID172905012
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine
SMILESCc1ccc(CN2CC(COc3cncc(Cl)n3)C2)s1
InChIInChI=1S/C14H16ClN3OS/c1-10-2-3-12(20-10)8-18-6-11(7-18)9-19-14-5-16-4-13(15)17-14/h2-5,11H,6-9H2,1H3
InChIKeyOSDLYTPENCYPCG-UHFFFAOYSA-N
XLogP3.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.01
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-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine?
The IUPAC name of 2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine (CID 172905012) is 2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine.
What is the SMILES notation for 2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine?
The canonical SMILES for 2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine is Cc1ccc(CN2CC(COc3cncc(Cl)n3)C2)s1.
What is the InChIKey of 2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine?
The InChIKey is OSDLYTPENCYPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-10-2-3-12(20-10)8-18-6-11(7-18)9-19-14-5-16-4-13(15)17-14/h2-5,11H,6-9H2,1H3.
What are the key properties of 2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine?
2-chloro-6-[[1-[(5-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine has a molecular weight of 309.82 g/mol, XLogP of 3.01, 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-methylthiophen-2-yl)methyl]azetidin-3-yl]methoxy]pyrazine is sourced from PubChem (CID 172905012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).