N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine

C13H13BrN4S — CID 79166300

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine
SMILESBrc1cn2c(CNCCc3ccsc3)cnc2cn1
InChIInChI=1S/C13H13BrN4S/c14-12-8-18-11(6-17-13(18)7-16-12)5-15-3-1-10-2-4-19-9-10/h2,4,6-9,15H,1,3,5H2
InChIKeyURNWABZCKGGLDB-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.89
Rot. Bonds5

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 79166300) has the molecular formula C13H13BrN4S and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine
PubChem CID79166300
Molecular FormulaC13H13BrN4S
Molecular Weight337.25 g/mol
Exact Mass336.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine
SMILESBrc1cn2c(CNCCc3ccsc3)cnc2cn1
InChIInChI=1S/C13H13BrN4S/c14-12-8-18-11(6-17-13(18)7-16-12)5-15-3-1-10-2-4-19-9-10/h2,4,6-9,15H,1,3,5H2
InChIKeyURNWABZCKGGLDB-UHFFFAOYSA-N
XLogP2.89
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
CID 79165705
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040343
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 113393694
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 79177061
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79166303
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 79166111
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline
CID 79164376
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369618
N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 62132424
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 66140786
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine
CID 79175819
[1-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358358

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine (CID 79166300) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine is Brc1cn2c(CNCCc3ccsc3)cnc2cn1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is URNWABZCKGGLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S/c14-12-8-18-11(6-17-13(18)7-16-12)5-15-3-1-10-2-4-19-9-10/h2,4,6-9,15H,1,3,5H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 337.25 g/mol, XLogP of 2.89, 5 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]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 79166300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).