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

C14H13Br2NS — CID 79460617

IUPAC3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine
SMILESBrc1ccc(C2(Cc3ccc(Br)s3)CNC2)cc1
InChIInChI=1S/C14H13Br2NS/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
InChIKeyLEHLUFORRQFOTP-UHFFFAOYSA-N
MW387.14 g/mol
LogP4.36
Rot. Bonds3

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

3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine (PubChem CID 79460617) has the molecular formula C14H13Br2NS and a molecular weight of 387.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine
PubChem CID79460617
Molecular FormulaC14H13Br2NS
Molecular Weight387.14 g/mol
Exact Mass384.91
IUPAC Name3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine
SMILESBrc1ccc(C2(Cc3ccc(Br)s3)CNC2)cc1
InChIInChI=1S/C14H13Br2NS/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
InChIKeyLEHLUFORRQFOTP-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.14
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)azetidine
CID 79452497
3-(4-bromophenyl)-3-[(5-chlorothiophen-2-yl)methyl]azetidine
CID 79460309
3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine
CID 112563459
3-[(5-ethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)azetidine
CID 79460562
3-[(2-bromo-4-fluorophenyl)methyl]-3-(4-bromophenyl)azetidine
CID 79460518
3-(4-bromophenyl)-3-(4,4-dimethylpentyl)azetidine
CID 114210618
3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine
CID 79459633
3-(4-bromophenyl)-3-[2-(trifluoromethylsulfanyl)ethyl]azetidine
CID 116628090
4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol
CID 114501970
1-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 66023531
[1-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methanamine
CID 65194183
2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
CID 114532872

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine?
The IUPAC name of 3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine (CID 79460617) is 3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine.
What is the SMILES notation for 3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine?
The canonical SMILES for 3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine is Brc1ccc(C2(Cc3ccc(Br)s3)CNC2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine?
The InChIKey is LEHLUFORRQFOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NS/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-bromothiophen-2-yl)methyl]azetidine?
3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine has a molecular weight of 387.14 g/mol, XLogP of 4.36, 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-bromothiophen-2-yl)methyl]azetidine is sourced from PubChem (CID 79460617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).