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

C12H12BrN5S — CID 79164568

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1cnc2cnc(Br)cn12)c1nccs1
InChIInChI=1S/C12H12BrN5S/c1-8(12-14-2-3-19-12)15-4-9-5-17-11-6-16-10(13)7-18(9)11/h2-3,5-8,15H,4H2,1H3
InChIKeyRWAPHPUWTJKCPQ-UHFFFAOYSA-N
MW338.23 g/mol
LogP2.80
Rot. Bonds4

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

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 79164568) has the molecular formula C12H12BrN5S and a molecular weight of 338.23 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID79164568
Molecular FormulaC12H12BrN5S
Molecular Weight338.23 g/mol
Exact Mass337.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1cnc2cnc(Br)cn12)c1nccs1
InChIInChI=1S/C12H12BrN5S/c1-8(12-14-2-3-19-12)15-4-9-5-17-11-6-16-10(13)7-18(9)11/h2-3,5-8,15H,4H2,1H3
InChIKeyRWAPHPUWTJKCPQ-UHFFFAOYSA-N
XLogP2.80
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 81407048
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350644
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 79165899
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
CID 83176314
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945103
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79166678
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine
CID 81387509
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79166303
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 114326972
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 83235908
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine
CID 79548562
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 79164568) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is CC(NCc1cnc2cnc(Br)cn12)c1nccs1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is RWAPHPUWTJKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5S/c1-8(12-14-2-3-19-12)15-4-9-5-17-11-6-16-10(13)7-18(9)11/h2-3,5-8,15H,4H2,1H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 338.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79164568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).