2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine

C15H11ClN2S — CID 174416578

IUPAC2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine
SMILESCc1c(-c2csc(Cl)c2)cccc1-c1cnccn1
InChIInChI=1S/C15H11ClN2S/c1-10-12(11-7-15(16)19-9-11)3-2-4-13(10)14-8-17-5-6-18-14/h2-9H,1H3
InChIKeyAPDRWKPSUPRWDX-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.83
Rot. Bonds2

About 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine

2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine (PubChem CID 174416578) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine.

Molecular Properties

Compound Name2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine
PubChem CID174416578
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine
SMILESCc1c(-c2csc(Cl)c2)cccc1-c1cnccn1
InChIInChI=1S/C15H11ClN2S/c1-10-12(11-7-15(16)19-9-11)3-2-4-13(10)14-8-17-5-6-18-14/h2-9H,1H3
InChIKeyAPDRWKPSUPRWDX-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine?
The IUPAC name of 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine (CID 174416578) is 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine.
What is the SMILES notation for 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine?
The canonical SMILES for 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine is Cc1c(-c2csc(Cl)c2)cccc1-c1cnccn1.
What is the InChIKey of 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine?
The InChIKey is APDRWKPSUPRWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c1-10-12(11-7-15(16)19-9-11)3-2-4-13(10)14-8-17-5-6-18-14/h2-9H,1H3.
What are the key properties of 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine?
2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine has a molecular weight of 286.79 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chlorothiophen-3-yl)-2-methylphenyl]pyrazine is sourced from PubChem (CID 174416578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).