N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide

C9H11BrN2OS — CID 115158767

IUPACN-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide
SMILESCN(C(=O)C1CNC1)c1cc(Br)cs1
InChIInChI=1S/C9H11BrN2OS/c1-12(8-2-7(10)5-14-8)9(13)6-3-11-4-6/h2,5-6,11H,3-4H2,1H3
InChIKeyWZCRQGIKQROPRL-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.69
Rot. Bonds2

About N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide

N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide (PubChem CID 115158767) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide
PubChem CID115158767
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC NameN-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide
SMILESCN(C(=O)C1CNC1)c1cc(Br)cs1
InChIInChI=1S/C9H11BrN2OS/c1-12(8-2-7(10)5-14-8)9(13)6-3-11-4-6/h2,5-6,11H,3-4H2,1H3
InChIKeyWZCRQGIKQROPRL-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromothiophen-2-yl)-N-methylpiperidine-4-carboxamide
CID 115160004
N-(4-bromothiophen-2-yl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151175
N-(4-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167064
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625
N-(4-bromothiophen-2-yl)-2-cyano-N,2-dimethylpropanamide
CID 115175042
N-(5-bromothiophen-2-yl)-N-methylpiperidine-3-carboxamide
CID 115159883
4-[[(4-bromothiophen-2-yl)-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 115221905
N-(4-bromothiophen-2-yl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183276
N,N-dimethylazetidine-3-carboxamide;hydrochloride
CID 53308702
(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 81139627
N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
CID 115158927
4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
CID 115209892

Frequently Asked Questions

What is the IUPAC name of N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide?
The IUPAC name of N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide (CID 115158767) is N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide.
What is the SMILES notation for N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide?
The canonical SMILES for N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide is CN(C(=O)C1CNC1)c1cc(Br)cs1.
What is the InChIKey of N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide?
The InChIKey is WZCRQGIKQROPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c1-12(8-2-7(10)5-14-8)9(13)6-3-11-4-6/h2,5-6,11H,3-4H2,1H3.
What are the key properties of N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide?
N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide has a molecular weight of 275.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromothiophen-2-yl)-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 115158767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).