5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine

C59H55N15O5S2 — CID 158321677

About 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine

5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine (PubChem CID 158321677) has the molecular formula C59H55N15O5S2 and a molecular weight of 1118.32 g/mol. Its IUPAC name is 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine
• PubChem CID: 158321677
• Molecular Formula: C59H55N15O5S2
• Molecular Weight: 1118.32 g/mol
• Exact Mass: 1117.40
• IUPAC Name: 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine
• SMILES: C#Cc1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2C)o1.Nc1ncc(-c2cccc3ccsc23)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(-c2cccc3ncccc23)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H14N6O.C20H13N5OS.C18H16N4O3S.6H2/c22-19-18(21-27-26-20(28-21)13-6-2-1-3-7-13)25-17(12-24-19)15-8-4-10-16-14(15)9-5-11-23-16;21-18-16(20-25-24-19(26-20)13-5-2-1-3-6-13)23-15(11-22-18)14-8-4-7-12-9-10-27-17(12)14;1-5-16-21-22-18(25-16)17-12(4)19-10-15(20-17)13-6-8-14(9-7-13)26(23,24)11(2)3;;;;;;/h1-12H,(H2,22,24);1-11H,(H2,21,22);1,6-11H,2-4H3;6*1H
• InChIKey: GOXPWQUQHMUSGR-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 293.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1118.32
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine?

The IUPAC name of 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine (CID 158321677) is 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine.

What is the SMILES notation for 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine?

The canonical SMILES for 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine is C#Cc1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2C)o1.Nc1ncc(-c2cccc3ccsc23)nc1-c1nnc(-c2ccccc2)o1.Nc1ncc(-c2cccc3ncccc23)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine?

The InChIKey is GOXPWQUQHMUSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O.C20H13N5OS.C18H16N4O3S.6H2/c22-19-18(21-27-26-20(28-21)13-6-2-1-3-7-13)25-17(12-24-19)15-8-4-10-16-14(15)9-5-11-23-16;21-18-16(20-25-24-19(26-20)13-5-2-1-3-6-13)23-15(11-22-18)14-8-4-7-12-9-10-27-17(12)14;1-5-16-21-22-18(25-16)17-12(4)19-10-15(20-17)13-6-8-14(9-7-13)26(23,24)11(2)3;;;;;;/h1-12H,(H2,22,24);1-11H,(H2,21,22);1,6-11H,2-4H3;6*1H.

What are the key properties of 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine?

5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine has a molecular weight of 1118.32 g/mol, XLogP of 12.79, 10 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzothiophen-7-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;2-ethynyl-5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazole;molecular hydrogen;3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine is sourced from PubChem (CID 158321677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).