2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol

C14H12N2OS — CID 63738461

IUPAC2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol
SMILESOC(Cc1csc2ccccc12)c1cnccn1
InChIInChI=1S/C14H12N2OS/c17-13(12-8-15-5-6-16-12)7-10-9-18-14-4-2-1-3-11(10)14/h1-6,8-9,13,17H,7H2
InChIKeyJEYDNHOOEUYMKF-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.97
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol

2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol (PubChem CID 63738461) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol
PubChem CID63738461
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol
SMILESOC(Cc1csc2ccccc12)c1cnccn1
InChIInChI=1S/C14H12N2OS/c17-13(12-8-15-5-6-16-12)7-10-9-18-14-4-2-1-3-11(10)14/h1-6,8-9,13,17H,7H2
InChIKeyJEYDNHOOEUYMKF-UHFFFAOYSA-N
XLogP2.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol
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CID 63736721
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115781069
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
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CID 105083237
2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150174
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
CID 65150670
2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572658
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64713790
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CID 65151095

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol (CID 63738461) is 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol is OC(Cc1csc2ccccc12)c1cnccn1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol?
The InChIKey is JEYDNHOOEUYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-13(12-8-15-5-6-16-12)7-10-9-18-14-4-2-1-3-11(10)14/h1-6,8-9,13,17H,7H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol?
2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol has a molecular weight of 256.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 63738461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).