1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine

C9H12BrNOS — CID 130703844

IUPAC1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
SMILESCOC1CN(Cc2csc(Br)c2)C1
InChIInChI=1S/C9H12BrNOS/c1-12-8-4-11(5-8)3-7-2-9(10)13-6-7/h2,6,8H,3-5H2,1H3
InChIKeyPJOBQHQPTSDVSD-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.34
Rot. Bonds3

About 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine

1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine (PubChem CID 130703844) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
PubChem CID130703844
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
SMILESCOC1CN(Cc2csc(Br)c2)C1
InChIInChI=1S/C9H12BrNOS/c1-12-8-4-11(5-8)3-7-2-9(10)13-6-7/h2,6,8H,3-5H2,1H3
InChIKeyPJOBQHQPTSDVSD-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromophenyl)methyl]-3-methoxyazetidine
CID 130548246
1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622693
3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726
(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
CID 102977244
1-[(5-bromothiophen-3-yl)methyl]-3-propylpiperazine
CID 115883147
(3S,4R)-1-[(5-bromothiophen-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760875
3-[(5-bromothiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927432
1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120774960
[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779935
4-[(5-bromothiophen-3-yl)methyl]-2,2-dimethylmorpholine
CID 86993054
1-[(5-bromothiophen-3-yl)methyl]-2,6-dimethylpiperazine
CID 63910635

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine (CID 130703844) is 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine is COC1CN(Cc2csc(Br)c2)C1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine?
The InChIKey is PJOBQHQPTSDVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-12-8-4-11(5-8)3-7-2-9(10)13-6-7/h2,6,8H,3-5H2,1H3.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine?
1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine has a molecular weight of 262.17 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine is sourced from PubChem (CID 130703844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).