3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate

C94H85Br4N31O12S5 — CID 158502706

About 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate

3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate (PubChem CID 158502706) has the molecular formula C94H85Br4N31O12S5 and a molecular weight of 2320.87 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate.

Molecular Properties

• Compound Name: 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate
• PubChem CID: 158502706
• Molecular Formula: C94H85Br4N31O12S5
• Molecular Weight: 2320.87 g/mol
• Exact Mass: 2315.23
• IUPAC Name: 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate
• SMILES: Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3C#N)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3C#N)cnc2N)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2N)o1.Cc1ccsc1C(=O)CNC(=O)c1nc(Br)cnc1N.Nc1ncc(Br)nc1C(=O)O
• InChI: InChI=1S/C30H31N7O4S.C24H22N8O2S.C12H11BrN4O2S.C12H9BrN4OS.C11H8BrN5OS.C5H4BrN3O2/c1-18-9-14-42-25(18)27-35-34-26(40-27)24-19(2)32-17-23(33-24)22-8-7-20(15-21(22)16-31)28(38)36-10-6-11-37(13-12-36)29(39)41-30(3,4)5;1-14-5-10-35-20(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;1-6-2-3-20-10(6)7(18)4-16-12(19)9-11(14)15-5-8(13)17-9;1-6-3-4-19-10(6)12-17-16-11(18-12)9-7(2)14-5-8(13)15-9;1-5-2-3-19-8(5)11-17-16-10(18-11)7-9(13)14-4-6(12)15-7;6-2-1-8-4(7)3(9-2)5(10)11/h7-9,14-15,17H,6,10-13H2,1-5H3;3-5,10-11,13,27H,2,6-9H2,1H3,(H2,26,28);2-3,5H,4H2,1H3,(H2,14,15)(H,16,19);3-5H,1-2H3;2-4H,1H3,(H2,13,14);1H,(H2,7,8)(H,10,11)
• InChIKey: HKBZUSWYLPNPSZ-UHFFFAOYSA-N
• XLogP: 17.48
• TPSA: 627.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 17
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2320.87
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate?

The IUPAC name of 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate (CID 158502706) is 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate.

What is the SMILES notation for 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate?

The canonical SMILES for 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate is Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)cc3C#N)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N4CCCNCC4)cc3C#N)cnc2N)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(Br)cnc2N)o1.Cc1ccsc1C(=O)CNC(=O)c1nc(Br)cnc1N.Nc1ncc(Br)nc1C(=O)O.

What is the InChIKey of 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate?

The InChIKey is HKBZUSWYLPNPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O4S.C24H22N8O2S.C12H11BrN4O2S.C12H9BrN4OS.C11H8BrN5OS.C5H4BrN3O2/c1-18-9-14-42-25(18)27-35-34-26(40-27)24-19(2)32-17-23(33-24)22-8-7-20(15-21(22)16-31)28(38)36-10-6-11-37(13-12-36)29(39)41-30(3,4)5;1-14-5-10-35-20(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;1-6-2-3-20-10(6)7(18)4-16-12(19)9-11(14)15-5-8(13)17-9;1-6-3-4-19-10(6)12-17-16-11(18-12)9-7(2)14-5-8(13)15-9;1-5-2-3-19-8(5)11-17-16-10(18-11)7-9(13)14-4-6(12)15-7;6-2-1-8-4(7)3(9-2)5(10)11/h7-9,14-15,17H,6,10-13H2,1-5H3;3-5,10-11,13,27H,2,6-9H2,1H3,(H2,26,28);2-3,5H,4H2,1H3,(H2,14,15)(H,16,19);3-5H,1-2H3;2-4H,1H3,(H2,13,14);1H,(H2,7,8)(H,10,11).

What are the key properties of 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate?

3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate has a molecular weight of 2320.87 g/mol, XLogP of 17.48, 17 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-bromo-N-[2-(3-methylthiophen-2-yl)-2-oxoethyl]pyrazine-2-carboxamide;3-amino-6-bromopyrazine-2-carboxylic acid;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;2-(6-bromo-3-methylpyrazin-2-yl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;5-bromo-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;tert-butyl 4-[3-cyano-4-[5-methyl-6-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzoyl]-1,4-diazepane-1-carboxylate is sourced from PubChem (CID 158502706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).