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

C10H10N2OS — CID 62607622

IUPAC1-pyrazin-2-yl-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1cnccn1
InChIInChI=1S/C10H10N2OS/c13-10(6-8-2-1-5-14-8)9-7-11-3-4-12-9/h1-5,7,10,13H,6H2
InChIKeyXZLMKFOXZULHKR-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.81
Rot. Bonds3

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

1-pyrazin-2-yl-2-thiophen-2-ylethanol (PubChem CID 62607622) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-pyrazin-2-yl-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-pyrazin-2-yl-2-thiophen-2-ylethanol
PubChem CID62607622
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-pyrazin-2-yl-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1cnccn1
InChIInChI=1S/C10H10N2OS/c13-10(6-8-2-1-5-14-8)9-7-11-3-4-12-9/h1-5,7,10,13H,6H2
InChIKeyXZLMKFOXZULHKR-UHFFFAOYSA-N
XLogP1.81
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.81
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-2-thiophen-2-ylethanol?
The IUPAC name of 1-pyrazin-2-yl-2-thiophen-2-ylethanol (CID 62607622) is 1-pyrazin-2-yl-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-pyrazin-2-yl-2-thiophen-2-ylethanol?
The canonical SMILES for 1-pyrazin-2-yl-2-thiophen-2-ylethanol is OC(Cc1cccs1)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-yl-2-thiophen-2-ylethanol?
The InChIKey is XZLMKFOXZULHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-10(6-8-2-1-5-14-8)9-7-11-3-4-12-9/h1-5,7,10,13H,6H2.
What are the key properties of 1-pyrazin-2-yl-2-thiophen-2-ylethanol?
1-pyrazin-2-yl-2-thiophen-2-ylethanol has a molecular weight of 206.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-2-thiophen-2-ylethanol is sourced from PubChem (CID 62607622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).