2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

C21H20N6O3S2 — CID 158857920

IUPAC2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ncc(N2CCN(S(=O)(=O)c3ccsc3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H20N6O3S2/c1-15-19(21-25-24-20(30-21)16-5-3-2-4-6-16)23-18(13-22-15)26-8-10-27(11-9-26)32(28,29)17-7-12-31-14-17/h2-7,12-14H,8-11H2,1H3
InChIKeyMEDMEZMJCXAEEA-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.07
Rot. Bonds5

About 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 158857920) has the molecular formula C21H20N6O3S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID158857920
Molecular FormulaC21H20N6O3S2
Molecular Weight468.56 g/mol
Exact Mass468.10
IUPAC Name2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ncc(N2CCN(S(=O)(=O)c3ccsc3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C21H20N6O3S2/c1-15-19(21-25-24-20(30-21)16-5-3-2-4-6-16)23-18(13-22-15)26-8-10-27(11-9-26)32(28,29)17-7-12-31-14-17/h2-7,12-14H,8-11H2,1H3
InChIKeyMEDMEZMJCXAEEA-UHFFFAOYSA-N
XLogP3.07
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole
CID 123215375
2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 162010857
5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 66745389
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 161402480
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen
CID 159144483
cyclopentyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]methanone;molecular hydrogen
CID 159001872
N-[1-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]azetidin-3-yl]ethanesulfonamide;molecular hydrogen
CID 162003585
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 159467467
2-[3-methyl-6-(3-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 146735790
3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide
CID 66744771
1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one
CID 159627603

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 158857920) is 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is Cc1ncc(N2CCN(S(=O)(=O)c3ccsc3)CC2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is MEDMEZMJCXAEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S2/c1-15-19(21-25-24-20(30-21)16-5-3-2-4-6-16)23-18(13-22-15)26-8-10-27(11-9-26)32(28,29)17-7-12-31-14-17/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 468.56 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 158857920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).