3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate

C51H56BrN17O12S4 — CID 159357859

About 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate

3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate (PubChem CID 159357859) has the molecular formula C51H56BrN17O12S4 and a molecular weight of 1307.29 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate
• PubChem CID: 159357859
• Molecular Formula: C51H56BrN17O12S4
• Molecular Weight: 1307.29 g/mol
• Exact Mass: 1305.24
• IUPAC Name: 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(N)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NCC(N)=S)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.COC(=O)c1nc(Br)cnc1N
• InChI: InChI=1S/C16H19N5O3S2.C15H16N6O3S.C14H15N3O4S.C6H6BrN3O2/c1-9(2)26(23,24)11-5-3-10(4-6-11)12-7-19-15(18)14(21-12)16(22)20-8-13(17)25;1-8(2)25(22,23)10-5-3-9(4-6-10)11-7-18-13(16)12(19-11)14-20-21-15(17)24-14;1-8(2)22(20,21)10-5-3-9(4-6-10)11-7-16-13(15)12(17-11)14(18)19;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-7,9H,8H2,1-2H3,(H2,17,25)(H2,18,19)(H,20,22);3-8H,1-2H3,(H2,16,18)(H2,17,21);3-8H,1-2H3,(H2,15,16)(H,18,19);2H,1H3,(H2,8,9)
• InChIKey: LIDQDSSIXRKOAH-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 493.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1307.29
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate?

The IUPAC name of 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate (CID 159357859) is 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate.

What is the SMILES notation for 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate?

The canonical SMILES for 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(N)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NCC(N)=S)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.COC(=O)c1nc(Br)cnc1N.

What is the InChIKey of 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate?

The InChIKey is LIDQDSSIXRKOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S2.C15H16N6O3S.C14H15N3O4S.C6H6BrN3O2/c1-9(2)26(23,24)11-5-3-10(4-6-11)12-7-19-15(18)14(21-12)16(22)20-8-13(17)25;1-8(2)25(22,23)10-5-3-9(4-6-10)11-7-18-13(16)12(19-11)14-20-21-15(17)24-14;1-8(2)22(20,21)10-5-3-9(4-6-10)11-7-16-13(15)12(17-11)14(18)19;1-12-6(11)4-5(8)9-2-3(7)10-4/h3-7,9H,8H2,1-2H3,(H2,17,25)(H2,18,19)(H,20,22);3-8H,1-2H3,(H2,16,18)(H2,17,21);3-8H,1-2H3,(H2,15,16)(H,18,19);2H,1H3,(H2,8,9).

What are the key properties of 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate?

3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate has a molecular weight of 1307.29 g/mol, XLogP of 4.68, 15 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide;3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylic acid;5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-amine;methyl 3-amino-6-bromopyrazine-2-carboxylate is sourced from PubChem (CID 159357859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).