N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine

C95H81Cl5N32O4S3 — CID 161478858

About N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine (PubChem CID 161478858) has the molecular formula C95H81Cl5N32O4S3 and a molecular weight of 2008.38 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine.

Molecular Properties

• Compound Name: N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine
• PubChem CID: 161478858
• Molecular Formula: C95H81Cl5N32O4S3
• Molecular Weight: 2008.38 g/mol
• Exact Mass: 2004.47
• IUPAC Name: N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine
• SMILES: CC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ncc(C)s2)nc1N.CNc1nc(-c2cc(Cl)c3oncc3c2)c(-n2ccc(C)n2)nc1N.Cc1ccn(-c2nc(N)c(NC3CCCC3)nc2-c2cc(Cl)c3ncsc3c2)n1.Cc1sncc1-c1nc(N)c(NC(=O)C2CC2)nc1-c1cc(Cl)c2nccnc2c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncoc3c2)nc1NC1CC1
• InChI: InChI=1S/C20H16ClN7OS.C20H20ClN7S.C20H16ClN5O.C19H15ClN6OS.C16H14ClN7O/c1-9-12(8-25-30-9)16-15(11-6-13(21)17-14(7-11)23-4-5-24-17)27-19(18(22)26-16)28-20(29)10-2-3-10;1-11-6-7-28(27-11)20-16(12-8-14(21)17-15(9-12)29-10-23-17)25-19(18(22)26-20)24-13-4-2-3-5-13;21-14-8-12(9-15-18(14)23-10-27-15)17-16(11-4-2-1-3-5-11)25-19(22)20(26-17)24-13-6-7-13;1-9-8-23-19(28-9)16-15(26-18(17(21)25-16)24-10(2)27)12-6-11-4-3-5-22-14(11)13(20)7-12;1-8-3-4-24(23-8)16-12(21-15(19-2)14(18)22-16)9-5-10-7-20-25-13(10)11(17)6-9/h4-8,10H,2-3H2,1H3,(H2,22,26)(H,27,28,29);6-10,13H,2-5H2,1H3,(H2,22,26)(H,24,25);1-5,8-10,13H,6-7H2,(H2,22,25)(H,24,26);3-8H,1-2H3,(H2,21,25)(H,24,26,27);3-7H,1-2H3,(H2,18,22)(H,19,21)
• InChIKey: WEBVGBMECXXJET-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 518.33 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2008.38
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine?

The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine (CID 161478858) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine.

What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine?

The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine is CC(=O)Nc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ncc(C)s2)nc1N.CNc1nc(-c2cc(Cl)c3oncc3c2)c(-n2ccc(C)n2)nc1N.Cc1ccn(-c2nc(N)c(NC3CCCC3)nc2-c2cc(Cl)c3ncsc3c2)n1.Cc1sncc1-c1nc(N)c(NC(=O)C2CC2)nc1-c1cc(Cl)c2nccnc2c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncoc3c2)nc1NC1CC1.

What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine?

The InChIKey is WEBVGBMECXXJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7OS.C20H20ClN7S.C20H16ClN5O.C19H15ClN6OS.C16H14ClN7O/c1-9-12(8-25-30-9)16-15(11-6-13(21)17-14(7-11)23-4-5-24-17)27-19(18(22)26-16)28-20(29)10-2-3-10;1-11-6-7-28(27-11)20-16(12-8-14(21)17-15(9-12)29-10-23-17)25-19(18(22)26-20)24-13-4-2-3-5-13;21-14-8-12(9-15-18(14)23-10-27-15)17-16(11-4-2-1-3-5-11)25-19(22)20(26-17)24-13-6-7-13;1-9-8-23-19(28-9)16-15(26-18(17(21)25-16)24-10(2)27)12-6-11-4-3-5-22-14(11)13(20)7-12;1-8-3-4-24(23-8)16-12(21-15(19-2)14(18)22-16)9-5-10-7-20-25-13(10)11(17)6-9/h4-8,10H,2-3H2,1H3,(H2,22,26)(H,27,28,29);6-10,13H,2-5H2,1H3,(H2,22,26)(H,24,25);1-5,8-10,13H,6-7H2,(H2,22,25)(H,24,26);3-8H,1-2H3,(H2,21,25)(H,24,26,27);3-7H,1-2H3,(H2,18,22)(H,19,21).

What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine?

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine has a molecular weight of 2008.38 g/mol, XLogP of 21.08, 18 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-yl]acetamide;N-[3-amino-6-(8-chloroquinoxalin-6-yl)-5-(5-methyl-1,2-thiazol-4-yl)pyrazin-2-yl]cyclopropanecarboxamide;5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-cyclopentyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-cyclopropyl-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-N-methyl-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 161478858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).