(5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol

C11H12N2OS — CID 63970050

IUPAC(5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol
SMILESCCc1ccc(C(O)c2cnccn2)s1
InChIInChI=1S/C11H12N2OS/c1-2-8-3-4-10(15-8)11(14)9-7-12-5-6-13-9/h3-7,11,14H,2H2,1H3
InChIKeyJNWHYJYCVOLTDA-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.18
Rot. Bonds3

About (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol

(5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol (PubChem CID 63970050) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol
PubChem CID63970050
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol
SMILESCCc1ccc(C(O)c2cnccn2)s1
InChIInChI=1S/C11H12N2OS/c1-2-8-3-4-10(15-8)11(14)9-7-12-5-6-13-9/h3-7,11,14H,2H2,1H3
InChIKeyJNWHYJYCVOLTDA-UHFFFAOYSA-N
XLogP2.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol (CID 63970050) is (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol is CCc1ccc(C(O)c2cnccn2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol?
The InChIKey is JNWHYJYCVOLTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-8-3-4-10(15-8)11(14)9-7-12-5-6-13-9/h3-7,11,14H,2H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol?
(5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol has a molecular weight of 220.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 63970050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).