1-pyrazin-2-yl-1-thiophen-2-ylethanol

C10H10N2OS — CID 63968792

IUPAC1-pyrazin-2-yl-1-thiophen-2-ylethanol
SMILESCC(O)(c1cnccn1)c1cccs1
InChIInChI=1S/C10H10N2OS/c1-10(13,9-3-2-6-14-9)8-7-11-4-5-12-8/h2-7,13H,1H3
InChIKeyWHOADYYPOVIYES-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.79
Rot. Bonds2

About 1-pyrazin-2-yl-1-thiophen-2-ylethanol

1-pyrazin-2-yl-1-thiophen-2-ylethanol (PubChem CID 63968792) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-pyrazin-2-yl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-pyrazin-2-yl-1-thiophen-2-ylethanol
PubChem CID63968792
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-pyrazin-2-yl-1-thiophen-2-ylethanol
SMILESCC(O)(c1cnccn1)c1cccs1
InChIInChI=1S/C10H10N2OS/c1-10(13,9-3-2-6-14-9)8-7-11-4-5-12-8/h2-7,13H,1H3
InChIKeyWHOADYYPOVIYES-UHFFFAOYSA-N
XLogP1.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-1-thiophen-2-ylethanol?
The IUPAC name of 1-pyrazin-2-yl-1-thiophen-2-ylethanol (CID 63968792) is 1-pyrazin-2-yl-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-pyrazin-2-yl-1-thiophen-2-ylethanol?
The canonical SMILES for 1-pyrazin-2-yl-1-thiophen-2-ylethanol is CC(O)(c1cnccn1)c1cccs1.
What is the InChIKey of 1-pyrazin-2-yl-1-thiophen-2-ylethanol?
The InChIKey is WHOADYYPOVIYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-10(13,9-3-2-6-14-9)8-7-11-4-5-12-8/h2-7,13H,1H3.
What are the key properties of 1-pyrazin-2-yl-1-thiophen-2-ylethanol?
1-pyrazin-2-yl-1-thiophen-2-ylethanol has a molecular weight of 206.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-1-thiophen-2-ylethanol is sourced from PubChem (CID 63968792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).