2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine

C22H24N4OS — CID 6482755

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccc(SC)cc3)n2)CC1
InChIInChI=1S/C22H24N4OS/c1-27-21-6-4-3-5-20(21)25-11-13-26(14-12-25)22-16-23-15-19(24-22)17-7-9-18(28-2)10-8-17/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAHMSBYWUXTUPHJ-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.20
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine

2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine (PubChem CID 6482755) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine
PubChem CID6482755
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccc(SC)cc3)n2)CC1
InChIInChI=1S/C22H24N4OS/c1-27-21-6-4-3-5-20(21)25-11-13-26(14-12-25)22-16-23-15-19(24-22)17-7-9-18(28-2)10-8-17/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAHMSBYWUXTUPHJ-UHFFFAOYSA-N
XLogP4.20
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine (CID 6482755) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine is COc1ccccc1N1CCN(c2cncc(-c3ccc(SC)cc3)n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine?
The InChIKey is AHMSBYWUXTUPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-27-21-6-4-3-5-20(21)25-11-13-26(14-12-25)22-16-23-15-19(24-22)17-7-9-18(28-2)10-8-17/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine has a molecular weight of 392.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine is sourced from PubChem (CID 6482755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).