2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine

C24H24N4S — CID 6482936

IUPAC2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine
SMILESCc1cccc(N2CCN(c3cncc(-c4cc5ccccc5s4)n3)CC2)c1C
InChIInChI=1S/C24H24N4S/c1-17-6-5-8-21(18(17)2)27-10-12-28(13-11-27)24-16-25-15-20(26-24)23-14-19-7-3-4-9-22(19)29-23/h3-9,14-16H,10-13H2,1-2H3
InChIKeyXGRHTZMPCQYHRA-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.30
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine

2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine (PubChem CID 6482936) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine
PubChem CID6482936
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC Name2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine
SMILESCc1cccc(N2CCN(c3cncc(-c4cc5ccccc5s4)n3)CC2)c1C
InChIInChI=1S/C24H24N4S/c1-17-6-5-8-21(18(17)2)27-10-12-28(13-11-27)24-16-25-15-20(26-24)23-14-19-7-3-4-9-22(19)29-23/h3-9,14-16H,10-13H2,1-2H3
InChIKeyXGRHTZMPCQYHRA-UHFFFAOYSA-N
XLogP5.30
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine (CID 6482936) is 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine is Cc1cccc(N2CCN(c3cncc(-c4cc5ccccc5s4)n3)CC2)c1C.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine?
The InChIKey is XGRHTZMPCQYHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-17-6-5-8-21(18(17)2)27-10-12-28(13-11-27)24-16-25-15-20(26-24)23-14-19-7-3-4-9-22(19)29-23/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine?
2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine has a molecular weight of 400.55 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 6482936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).