1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine

C94H78Cl4N26O3S3 — CID 161238432

About 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine

1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 161238432) has the molecular formula C94H78Cl4N26O3S3 and a molecular weight of 1857.85 g/mol. Its IUPAC name is 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

• Compound Name: 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine
• PubChem CID: 161238432
• Molecular Formula: C94H78Cl4N26O3S3
• Molecular Weight: 1857.85 g/mol
• Exact Mass: 1854.47
• IUPAC Name: 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine
• SMILES: C=C(C)c1nc(-c2cc(Cl)c3ncoc3c2)c(-c2ccn(C)n2)nc1N.CCc1nc(-c2cc(Cl)c3ncoc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccc(-c2nc(N)c(C3CC3)nc2-c2ccc3ncccc3c2)s1.Cc1nc(-c2cc(Cl)c3scnc3c2C)c(-n2ccccc2=O)nc1N.Cc1ncc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)s1
• InChI: InChI=1S/C21H18N4S.C20H16ClN5S.C18H15ClN6O.C18H14ClN5OS.C17H15ClN6O/c1-12-4-9-17(26-12)20-18(24-19(13-5-6-13)21(22)25-20)15-7-8-16-14(11-15)3-2-10-23-16;1-10-24-9-15(27-10)19-17(25-18(11-4-5-11)20(22)26-19)13-7-12-3-2-6-23-16(12)14(21)8-13;1-9(2)14-18(20)23-17(12-4-5-25(3)24-12)15(22-14)10-6-11(19)16-13(7-10)26-8-21-16;1-9-11(7-12(19)16-14(9)21-8-26-16)15-18(23-17(20)10(2)22-15)24-6-4-3-5-13(24)25;1-3-11-17(19)22-16(12-4-5-24(2)23-12)14(21-11)9-6-10(18)15-13(7-9)25-8-20-15/h2-4,7-11,13H,5-6H2,1H3,(H2,22,25);2-3,6-9,11H,4-5H2,1H3,(H2,22,26);4-8H,1H2,2-3H3,(H2,20,23);3-8H,1-2H3,(H2,20,23);4-8H,3H2,1-2H3,(H2,19,22)
• InChIKey: UZRGVJOIGMLVDG-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 420.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1857.85
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine?

The IUPAC name of 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine (CID 161238432) is 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine.

What is the SMILES notation for 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine?

The canonical SMILES for 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine is C=C(C)c1nc(-c2cc(Cl)c3ncoc3c2)c(-c2ccn(C)n2)nc1N.CCc1nc(-c2cc(Cl)c3ncoc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccc(-c2nc(N)c(C3CC3)nc2-c2ccc3ncccc3c2)s1.Cc1nc(-c2cc(Cl)c3scnc3c2C)c(-n2ccccc2=O)nc1N.Cc1ncc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)s1.

What is the InChIKey of 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine?

The InChIKey is UZRGVJOIGMLVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4S.C20H16ClN5S.C18H15ClN6O.C18H14ClN5OS.C17H15ClN6O/c1-12-4-9-17(26-12)20-18(24-19(13-5-6-13)21(22)25-20)15-7-8-16-14(11-15)3-2-10-23-16;1-10-24-9-15(27-10)19-17(25-18(11-4-5-11)20(22)26-19)13-7-12-3-2-6-23-16(12)14(21)8-13;1-9(2)14-18(20)23-17(12-4-5-25(3)24-12)15(22-14)10-6-11(19)16-13(7-10)26-8-21-16;1-9-11(7-12(19)16-14(9)21-8-26-16)15-18(23-17(20)10(2)22-15)24-6-4-3-5-13(24)25;1-3-11-17(19)22-16(12-4-5-24(2)23-12)14(21-11)9-6-10(18)15-13(7-9)25-8-20-15/h2-4,7-11,13H,5-6H2,1H3,(H2,22,25);2-3,6-9,11H,4-5H2,1H3,(H2,22,26);4-8H,1H2,2-3H3,(H2,20,23);3-8H,1-2H3,(H2,20,23);4-8H,3H2,1-2H3,(H2,19,22).

What are the key properties of 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine?

1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 1857.85 g/mol, XLogP of 21.62, 14 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-amino-3-(7-chloro-4-methyl-1,3-benzothiazol-5-yl)-5-methylpyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)-3-prop-1-en-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;3-cyclopropyl-6-(5-methylthiophen-2-yl)-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 161238432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).