5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine

C13H14BrN3S — CID 103059893

IUPAC5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CSc2ccc(Br)cc2)cn1
InChIInChI=1S/C13H14BrN3S/c1-2-15-13-8-16-11(7-17-13)9-18-12-5-3-10(14)4-6-12/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyHEICNWZAVHKSBS-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.96
Rot. Bonds5

About 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine

5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine (PubChem CID 103059893) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
PubChem CID103059893
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CSc2ccc(Br)cc2)cn1
InChIInChI=1S/C13H14BrN3S/c1-2-15-13-8-16-11(7-17-13)9-18-12-5-3-10(14)4-6-12/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyHEICNWZAVHKSBS-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-N-ethylpyrazin-2-amine
CID 103059867
5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059685
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine
CID 115622309
N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060079
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059924
2-[(4-bromophenyl)sulfanylmethyl]-5-methylpyridine;hydrochloride
CID 45260658
N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060394
1-[4-[(5-bromo-2-pyridinyl)methylsulfanyl]phenyl]-N-ethylethanamine
CID 104811455
N-ethyl-5-[(2-nitrophenyl)sulfanylmethyl]pyrazin-2-amine
CID 103059899
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62189614
N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide
CID 103059780

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine (CID 103059893) is 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine is CCNc1cnc(CSc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
The InChIKey is HEICNWZAVHKSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c1-2-15-13-8-16-11(7-17-13)9-18-12-5-3-10(14)4-6-12/h3-8H,2,9H2,1H3,(H,15,17).
What are the key properties of 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine has a molecular weight of 324.25 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103059893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).