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

C20H18N6O3S2 — CID 123215375

IUPAC2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccsc1)N1CCN(c2cncc(-c3nnc(-c4ccccc4)o3)n2)CC1
InChIInChI=1S/C20H18N6O3S2/c27-31(28,16-6-11-30-14-16)26-9-7-25(8-10-26)18-13-21-12-17(22-18)20-24-23-19(29-20)15-4-2-1-3-5-15/h1-6,11-14H,7-10H2
InChIKeyWHDNOHORXAJJDJ-UHFFFAOYSA-N
MW454.54 g/mol
LogP2.77
Rot. Bonds5

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

2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole (PubChem CID 123215375) has the molecular formula C20H18N6O3S2 and a molecular weight of 454.54 g/mol. Its IUPAC name is 2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole
PubChem CID123215375
Molecular FormulaC20H18N6O3S2
Molecular Weight454.54 g/mol
Exact Mass454.09
IUPAC Name2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccsc1)N1CCN(c2cncc(-c3nnc(-c4ccccc4)o3)n2)CC1
InChIInChI=1S/C20H18N6O3S2/c27-31(28,16-6-11-30-14-16)26-9-7-25(8-10-26)18-13-21-12-17(22-18)20-24-23-19(29-20)15-4-2-1-3-5-15/h1-6,11-14H,7-10H2
InChIKeyWHDNOHORXAJJDJ-UHFFFAOYSA-N
XLogP2.77
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 158857920
5-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 66745389
2-[6-(1-benzylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 89472413
N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 123264996
2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 162010857
2-[6-[1-(1-methylimidazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 123992495
3-amino-N-pyridin-2-yl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazine-2-carboxamide
CID 66744771
1-[4-[4-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 139582970
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
CID 53097906
1-(benzenesulfonyl)-4-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperazine
CID 53181823
2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 8743178

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole (CID 123215375) is 2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole is O=S(=O)(c1ccsc1)N1CCN(c2cncc(-c3nnc(-c4ccccc4)o3)n2)CC1.
What is the InChIKey of 2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole?
The InChIKey is WHDNOHORXAJJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S2/c27-31(28,16-6-11-30-14-16)26-9-7-25(8-10-26)18-13-21-12-17(22-18)20-24-23-19(29-20)15-4-2-1-3-5-15/h1-6,11-14H,7-10H2.
What are the key properties of 2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole?
2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole has a molecular weight of 454.54 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 123215375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).