3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine

C86H52Br2Cl5N27S3 — CID 161433844

About 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine

3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine (PubChem CID 161433844) has the molecular formula C86H52Br2Cl5N27S3 and a molecular weight of 1896.82 g/mol. Its IUPAC name is 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine.

Molecular Properties

• Compound Name: 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine
• PubChem CID: 161433844
• Molecular Formula: C86H52Br2Cl5N27S3
• Molecular Weight: 1896.82 g/mol
• Exact Mass: 1891.09
• IUPAC Name: 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine
• SMILES: Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncsc3c2)n1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.N#Cc1nc(-c2cc(Cl)c3ncsc3c2)c(-c2ccccc2)nc1N.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1Br.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncsc3c2)nc1Br
• InChI: InChI=1S/C18H11ClN6.C18H10ClN5S.C17H11BrClN5.C17H10BrClN4S.C16H10ClN7S/c19-13-7-11(6-12-9-22-25-15(12)13)17-16(10-4-2-1-3-5-10)24-18(21)14(8-20)23-17;19-12-6-11(7-14-17(12)22-9-25-14)16-15(10-4-2-1-3-5-10)24-18(21)13(8-20)23-16;18-16-17(20)23-14(9-4-2-1-3-5-9)15(22-16)10-6-11-8-21-24-13(11)12(19)7-10;18-16-17(20)23-13(9-4-2-1-3-5-9)14(22-16)10-6-11(19)15-12(7-10)24-8-21-15;1-24-3-2-10(23-24)15-13(21-11(6-18)16(19)22-15)8-4-9(17)14-12(5-8)25-7-20-14/h1-7,9H,(H2,21,24)(H,22,25);1-7,9H,(H2,21,24);1-8H,(H2,20,23)(H,21,24);1-8H,(H2,20,23);2-5,7H,1H3,(H2,19,22)
• InChIKey: VYJLGOKMHQTOET-UHFFFAOYSA-N
• XLogP: 21.69
• TPSA: 444.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1896.82
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine?

The IUPAC name of 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine (CID 161433844) is 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine.

What is the SMILES notation for 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine?

The canonical SMILES for 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine is Cn1ccc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncsc3c2)n1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.N#Cc1nc(-c2cc(Cl)c3ncsc3c2)c(-c2ccccc2)nc1N.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1Br.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncsc3c2)nc1Br.

What is the InChIKey of 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine?

The InChIKey is VYJLGOKMHQTOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN6.C18H10ClN5S.C17H11BrClN5.C17H10BrClN4S.C16H10ClN7S/c19-13-7-11(6-12-9-22-25-15(12)13)17-16(10-4-2-1-3-5-10)24-18(21)14(8-20)23-17;19-12-6-11(7-14-17(12)22-9-25-14)16-15(10-4-2-1-3-5-10)24-18(21)13(8-20)23-16;18-16-17(20)23-14(9-4-2-1-3-5-9)15(22-16)10-6-11-8-21-24-13(11)12(19)7-10;18-16-17(20)23-13(9-4-2-1-3-5-9)14(22-16)10-6-11(19)15-12(7-10)24-8-21-15;1-24-3-2-10(23-24)15-13(21-11(6-18)16(19)22-15)8-4-9(17)14-12(5-8)25-7-20-14/h1-7,9H,(H2,21,24)(H,22,25);1-7,9H,(H2,21,24);1-8H,(H2,20,23)(H,21,24);1-8H,(H2,20,23);2-5,7H,1H3,(H2,19,22).

What are the key properties of 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine?

3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine has a molecular weight of 1896.82 g/mol, XLogP of 21.69, 10 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(4-chloro-1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;3-bromo-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine is sourced from PubChem (CID 161433844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).