(5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol

C15H12N2OS — CID 175696346

IUPAC(5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol
SMILESOC(c1csc(-c2ccccc2)c1)c1cnccn1
InChIInChI=1S/C15H12N2OS/c18-15(13-9-16-6-7-17-13)12-8-14(19-10-12)11-4-2-1-3-5-11/h1-10,15,18H
InChIKeyJGZUSTWXNBJKIA-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.29
Rot. Bonds3

About (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol

(5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol (PubChem CID 175696346) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol
PubChem CID175696346
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name(5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol
SMILESOC(c1csc(-c2ccccc2)c1)c1cnccn1
InChIInChI=1S/C15H12N2OS/c18-15(13-9-16-6-7-17-13)12-8-14(19-10-12)11-4-2-1-3-5-11/h1-10,15,18H
InChIKeyJGZUSTWXNBJKIA-UHFFFAOYSA-N
XLogP3.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol (CID 175696346) is (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol is OC(c1csc(-c2ccccc2)c1)c1cnccn1.
What is the InChIKey of (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol?
The InChIKey is JGZUSTWXNBJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-15(13-9-16-6-7-17-13)12-8-14(19-10-12)11-4-2-1-3-5-11/h1-10,15,18H.
What are the key properties of (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol?
(5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol has a molecular weight of 268.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylthiophen-3-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 175696346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).