2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine

C23H20N2O2S — CID 14100166

IUPAC2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine
SMILESCOc1ccc(-c2ncc(Cc3cccs3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-26-19-9-5-16(6-10-19)22-23(17-7-11-20(27-2)12-8-17)25-18(15-24-22)14-21-4-3-13-28-21/h3-13,15H,14H2,1-2H3
InChIKeySHQGRCNWHTUWNT-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.48
Rot. Bonds6

About 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine

2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine (PubChem CID 14100166) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine
PubChem CID14100166
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine
SMILESCOc1ccc(-c2ncc(Cc3cccs3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-26-19-9-5-16(6-10-19)22-23(17-7-11-20(27-2)12-8-17)25-18(15-24-22)14-21-4-3-13-28-21/h3-13,15H,14H2,1-2H3
InChIKeySHQGRCNWHTUWNT-UHFFFAOYSA-N
XLogP5.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine?
The IUPAC name of 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine (CID 14100166) is 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine is COc1ccc(-c2ncc(Cc3cccs3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine?
The InChIKey is SHQGRCNWHTUWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-26-19-9-5-16(6-10-19)22-23(17-7-11-20(27-2)12-8-17)25-18(15-24-22)14-21-4-3-13-28-21/h3-13,15H,14H2,1-2H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine?
2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine has a molecular weight of 388.49 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)pyrazine is sourced from PubChem (CID 14100166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).