N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine

C13H12BrClN4S — CID 79165899

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
SMILESCC(NCc1cnc2cnc(Br)cn12)c1ccc(Cl)s1
InChIInChI=1S/C13H12BrClN4S/c1-8(10-2-3-12(15)20-10)16-4-9-5-18-13-6-17-11(14)7-19(9)13/h2-3,5-8,16H,4H2,1H3
InChIKeyNPOJJCLPLNKEQA-UHFFFAOYSA-N
MW371.69 g/mol
LogP4.06
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 79165899) has the molecular formula C13H12BrClN4S and a molecular weight of 371.69 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
PubChem CID79165899
Molecular FormulaC13H12BrClN4S
Molecular Weight371.69 g/mol
Exact Mass369.97
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
SMILESCC(NCc1cnc2cnc(Br)cn12)c1ccc(Cl)s1
InChIInChI=1S/C13H12BrClN4S/c1-8(10-2-3-12(15)20-10)16-4-9-5-18-13-6-17-11(14)7-19(9)13/h2-3,5-8,16H,4H2,1H3
InChIKeyNPOJJCLPLNKEQA-UHFFFAOYSA-N
XLogP4.06
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.69
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine (CID 79165899) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine is CC(NCc1cnc2cnc(Br)cn12)c1ccc(Cl)s1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is NPOJJCLPLNKEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4S/c1-8(10-2-3-12(15)20-10)16-4-9-5-18-13-6-17-11(14)7-19(9)13/h2-3,5-8,16H,4H2,1H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine has a molecular weight of 371.69 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 79165899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).