N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide

C10H13BrN2OS — CID 115158927

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)C1CNC1
InChIInChI=1S/C10H13BrN2OS/c1-13(10(14)7-4-12-5-7)6-8-2-3-9(11)15-8/h2-3,7,12H,4-6H2,1H3
InChIKeyFJPFPRTWCJCZLE-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.69
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide (PubChem CID 115158927) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
PubChem CID115158927
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)C1CNC1
InChIInChI=1S/C10H13BrN2OS/c1-13(10(14)7-4-12-5-7)6-8-2-3-9(11)15-8/h2-3,7,12H,4-6H2,1H3
InChIKeyFJPFPRTWCJCZLE-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 51292110
(3S)-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 8530328
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119688975
N-[(5-bromothiophen-2-yl)methyl]-1-(3,5-dimethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 55720074
2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042686
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982035
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dimethylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 56777831
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide (CID 115158927) is N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide is CN(Cc1ccc(Br)s1)C(=O)C1CNC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is FJPFPRTWCJCZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-13(10(14)7-4-12-5-7)6-8-2-3-9(11)15-8/h2-3,7,12H,4-6H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 289.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 115158927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).