2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

C66H72N18O4S2 — CID 157327381

About 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (PubChem CID 157327381) has the molecular formula C66H72N18O4S2 and a molecular weight of 1245.56 g/mol. Its IUPAC name is 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• PubChem CID: 157327381
• Molecular Formula: C66H72N18O4S2
• Molecular Weight: 1245.56 g/mol
• Exact Mass: 1244.54
• IUPAC Name: 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• SMILES: C.C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cscn4)o3)n2)cc1)N(C)C.Cc1cccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)c1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3C#N)cnc2N)o1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H22N8O2S.C20H18N6OS.C20H16N4O.2CH4.4H2/c1-14-5-10-35-20(14)23-31-30-22(34-23)19-21(26)28-13-18(29-19)17-4-3-15(11-16(17)12-25)24(33)32-8-2-6-27-7-9-32;1-12-18(20-25-24-19(27-20)17-10-28-11-22-17)23-16(9-21-12)15-7-5-14(6-8-15)13(2)26(3)4;1-13-7-6-10-16(11-13)17-12-21-14(2)18(22-17)20-24-23-19(25-20)15-8-4-3-5-9-15;;;;;;/h3-5,10-11,13,27H,2,6-9H2,1H3,(H2,26,28);5-11H,2H2,1,3-4H3;3-12H,1-2H3;2*1H4;4*1H
• InChIKey: BEWVQPXPZBCLOJ-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 292.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1245.56
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The IUPAC name of 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (CID 157327381) is 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

What is the SMILES notation for 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The canonical SMILES for 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is C.C.C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4cscn4)o3)n2)cc1)N(C)C.Cc1cccc(-c2cnc(C)c(-c3nnc(-c4ccccc4)o3)n2)c1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3C#N)cnc2N)o1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The InChIKey is BEWVQPXPZBCLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2S.C20H18N6OS.C20H16N4O.2CH4.4H2/c1-14-5-10-35-20(14)23-31-30-22(34-23)19-21(26)28-13-18(29-19)17-4-3-15(11-16(17)12-25)24(33)32-8-2-6-27-7-9-32;1-12-18(20-25-24-19(27-20)17-10-28-11-22-17)23-16(9-21-12)15-7-5-14(6-8-15)13(2)26(3)4;1-13-7-6-10-16(11-13)17-12-21-14(2)18(22-17)20-24-23-19(25-20)15-8-4-3-5-9-15;;;;;;/h3-5,10-11,13,27H,2,6-9H2,1H3,(H2,26,28);5-11H,2H2,1,3-4H3;3-12H,1-2H3;2*1H4;4*1H.

What are the key properties of 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen has a molecular weight of 1245.56 g/mol, XLogP of 14.01, 12 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-amino-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-5-(1,4-diazepane-1-carbonyl)benzonitrile;N,N-dimethyl-1-[4-[5-methyl-6-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;methane;2-[3-methyl-6-(3-methylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is sourced from PubChem (CID 157327381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).