2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine

C16H13BrN2O2S — CID 168878472

IUPAC2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine
SMILESCOc1ccc(-c2cncc(-c3cc(Br)cs3)n2)cc1OC
InChIInChI=1S/C16H13BrN2O2S/c1-20-14-4-3-10(5-15(14)21-2)12-7-18-8-13(19-12)16-6-11(17)9-22-16/h3-9H,1-2H3
InChIKeyACAWEHYRLSXRAH-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.65
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine

2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine (PubChem CID 168878472) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine
PubChem CID168878472
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC Name2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine
SMILESCOc1ccc(-c2cncc(-c3cc(Br)cs3)n2)cc1OC
InChIInChI=1S/C16H13BrN2O2S/c1-20-14-4-3-10(5-15(14)21-2)12-7-18-8-13(19-12)16-6-11(17)9-22-16/h3-9H,1-2H3
InChIKeyACAWEHYRLSXRAH-UHFFFAOYSA-N
XLogP4.65
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride
CID 168878438
N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
CID 170178372
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
CID 170178381
3-(4-bromophenyl)-5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,2,4-oxadiazole
CID 50838653
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide
CID 170178382
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine (CID 168878472) is 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine is COc1ccc(-c2cncc(-c3cc(Br)cs3)n2)cc1OC.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine?
The InChIKey is ACAWEHYRLSXRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-20-14-4-3-10(5-15(14)21-2)12-7-18-8-13(19-12)16-6-11(17)9-22-16/h3-9H,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine?
2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine has a molecular weight of 377.26 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine is sourced from PubChem (CID 168878472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).