2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine

C13H13BrClN3OS — CID 172905082

IUPAC2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine
SMILESClc1cncc(OCC2CN(Cc3cc(Br)cs3)C2)n1
InChIInChI=1S/C13H13BrClN3OS/c14-10-1-11(20-8-10)6-18-4-9(5-18)7-19-13-3-16-2-12(15)17-13/h1-3,8-9H,4-7H2
InChIKeyGGPQCSGTPPRLJA-UHFFFAOYSA-N
MW374.69 g/mol
LogP3.46
Rot. Bonds5

About 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine

2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine (PubChem CID 172905082) has the molecular formula C13H13BrClN3OS and a molecular weight of 374.69 g/mol. Its IUPAC name is 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine.

Molecular Properties

Compound Name2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine
PubChem CID172905082
Molecular FormulaC13H13BrClN3OS
Molecular Weight374.69 g/mol
Exact Mass372.97
IUPAC Name2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine
SMILESClc1cncc(OCC2CN(Cc3cc(Br)cs3)C2)n1
InChIInChI=1S/C13H13BrClN3OS/c14-10-1-11(20-8-10)6-18-4-9(5-18)7-19-13-3-16-2-12(15)17-13/h1-3,8-9H,4-7H2
InChIKeyGGPQCSGTPPRLJA-UHFFFAOYSA-N
XLogP3.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine 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-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine?
The IUPAC name of 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine (CID 172905082) is 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine.
What is the SMILES notation for 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine?
The canonical SMILES for 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine is Clc1cncc(OCC2CN(Cc3cc(Br)cs3)C2)n1.
What is the InChIKey of 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine?
The InChIKey is GGPQCSGTPPRLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3OS/c14-10-1-11(20-8-10)6-18-4-9(5-18)7-19-13-3-16-2-12(15)17-13/h1-3,8-9H,4-7H2.
What are the key properties of 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine?
2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine has a molecular weight of 374.69 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-bromothiophen-2-yl)methyl]azetidin-3-yl]methoxy]-6-chloropyrazine is sourced from PubChem (CID 172905082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).