3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine

C14H13BrClNS — CID 79460309

IUPAC3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine
SMILESClc1ccc(CC2(c3ccc(Br)cc3)CNC2)s1
InChIInChI=1S/C14H13BrClNS/c15-11-3-1-10(2-4-11)14(8-17-9-14)7-12-5-6-13(16)18-12/h1-6,17H,7-9H2
InChIKeyCQASKGGRJGXWDR-UHFFFAOYSA-N
MW342.69 g/mol
LogP4.25
Rot. Bonds3

About 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine

3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine (PubChem CID 79460309) has the molecular formula C14H13BrClNS and a molecular weight of 342.69 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine
PubChem CID79460309
Molecular FormulaC14H13BrClNS
Molecular Weight342.69 g/mol
Exact Mass340.96
IUPAC Name3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine
SMILESClc1ccc(CC2(c3ccc(Br)cc3)CNC2)s1
InChIInChI=1S/C14H13BrClNS/c15-11-3-1-10(2-4-11)14(8-17-9-14)7-12-5-6-13(16)18-12/h1-6,17H,7-9H2
InChIKeyCQASKGGRJGXWDR-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.69
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine?
The IUPAC name of 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine (CID 79460309) is 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine.
What is the SMILES notation for 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine?
The canonical SMILES for 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine is Clc1ccc(CC2(c3ccc(Br)cc3)CNC2)s1.
What is the InChIKey of 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine?
The InChIKey is CQASKGGRJGXWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNS/c15-11-3-1-10(2-4-11)14(8-17-9-14)7-12-5-6-13(16)18-12/h1-6,17H,7-9H2.
What are the key properties of 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine?
3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine has a molecular weight of 342.69 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine is sourced from PubChem (CID 79460309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).