2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine

C11H8N2S — CID 91018508

IUPAC2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine
SMILESC=C=Cc1ccc(-c2cnccn2)s1
InChIInChI=1S/C11H8N2S/c1-2-3-9-4-5-11(14-9)10-8-12-6-7-13-10/h3-8H,1H2
InChIKeyNUAGUPWUDBIYTQ-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.00
Rot. Bonds2

About 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine

2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine (PubChem CID 91018508) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine.

Molecular Properties

Compound Name2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine
PubChem CID91018508
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine
SMILESC=C=Cc1ccc(-c2cnccn2)s1
InChIInChI=1S/C11H8N2S/c1-2-3-9-4-5-11(14-9)10-8-12-6-7-13-10/h3-8H,1H2
InChIKeyNUAGUPWUDBIYTQ-UHFFFAOYSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine?
The IUPAC name of 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine (CID 91018508) is 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine.
What is the SMILES notation for 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine?
The canonical SMILES for 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine is C=C=Cc1ccc(-c2cnccn2)s1.
What is the InChIKey of 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine?
The InChIKey is NUAGUPWUDBIYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-3-9-4-5-11(14-9)10-8-12-6-7-13-10/h3-8H,1H2.
What are the key properties of 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine?
2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine has a molecular weight of 200.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propa-1,2-dienylthiophen-2-yl)pyrazine is sourced from PubChem (CID 91018508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).