2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

C22H19N5O3S2 — CID 159467467

IUPAC2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ncc(C2=CCN(S(=O)(=O)c3cccs3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H19N5O3S2/c1-15-20(22-26-25-21(30-22)17-6-3-2-4-7-17)24-18(14-23-15)16-9-11-27(12-10-16)32(28,29)19-8-5-13-31-19/h2-9,13-14H,10-12H2,1H3
InChIKeyKZANJKYIXYXDTP-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.04
Rot. Bonds5

About 2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 159467467) has the molecular formula C22H19N5O3S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID159467467
Molecular FormulaC22H19N5O3S2
Molecular Weight465.56 g/mol
Exact Mass465.09
IUPAC Name2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ncc(C2=CCN(S(=O)(=O)c3cccs3)CC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H19N5O3S2/c1-15-20(22-26-25-21(30-22)17-6-3-2-4-7-17)24-18(14-23-15)16-9-11-27(12-10-16)32(28,29)19-8-5-13-31-19/h2-9,13-14H,10-12H2,1H3
InChIKeyKZANJKYIXYXDTP-UHFFFAOYSA-N
XLogP4.04
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 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) is 2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is Cc1ncc(C2=CCN(S(=O)(=O)c3cccs3)CC2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KZANJKYIXYXDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S2/c1-15-20(22-26-25-21(30-22)17-6-3-2-4-7-17)24-18(14-23-15)16-9-11-27(12-10-16)32(28,29)19-8-5-13-31-19/h2-9,13-14H,10-12H2,1H3.
What are the key properties of 2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 465.56 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 159467467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).