N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

C103H110N32O13S — CID 158391468

About N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 158391468) has the molecular formula C103H110N32O13S and a molecular weight of 2036.29 g/mol. Its IUPAC name is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 158391468
• Molecular Formula: C103H110N32O13S
• Molecular Weight: 2036.29 g/mol
• Exact Mass: 2034.87
• IUPAC Name: N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)Cn2cnc3c2ncc(=O)n3C)cc1.Cc1ccc(CCNC(=O)Cn2cnc3c2ncc(=O)n3C)cc1.Cc1ccc(CCNC(=O)Cn2cnc3c2ncc(=O)n3C)cc1.Cc1ccc(CCNC(=O)Cn2cnc3c2ncc(=O)n3C)cc1.Cc1ccc2nc(NC(=O)Cn3cnc4c3ncc(=O)n4C)oc2c1.Cn1c(=O)cnc2c1ncn2CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1
• InChI: InChI=1S/C19H20N6O2S.4C17H19N5O2.C16H14N6O3/c1-19(2,3)11-5-6-12-13(7-11)28-18(22-12)23-14(26)9-25-10-21-16-17(25)20-8-15(27)24(16)4;1-11(2)12-4-6-13(7-5-12)20-14(23)9-22-10-19-16-17(22)18-8-15(24)21(16)3;3*1-12-3-5-13(6-4-12)7-8-18-14(23)10-22-11-20-16-17(22)19-9-15(24)21(16)2;1-9-3-4-10-11(5-9)25-16(19-10)20-12(23)7-22-8-18-14-15(22)17-6-13(24)21(14)2/h5-8,10H,9H2,1-4H3,(H,22,23,26);4-8,10-11H,9H2,1-3H3,(H,20,23);3*3-6,9,11H,7-8,10H2,1-2H3,(H,18,23);3-6,8H,7H2,1-2H3,(H,19,20,23)
• InChIKey: GXAABICQCMOOOG-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 529.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2036.29
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 158391468) is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2cnc3c2ncc(=O)n3C)cc1.Cc1ccc(CCNC(=O)Cn2cnc3c2ncc(=O)n3C)cc1.Cc1ccc(CCNC(=O)Cn2cnc3c2ncc(=O)n3C)cc1.Cc1ccc(CCNC(=O)Cn2cnc3c2ncc(=O)n3C)cc1.Cc1ccc2nc(NC(=O)Cn3cnc4c3ncc(=O)n4C)oc2c1.Cn1c(=O)cnc2c1ncn2CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.

What is the InChIKey of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is GXAABICQCMOOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S.4C17H19N5O2.C16H14N6O3/c1-19(2,3)11-5-6-12-13(7-11)28-18(22-12)23-14(26)9-25-10-21-16-17(25)20-8-15(27)24(16)4;1-11(2)12-4-6-13(7-5-12)20-14(23)9-22-10-19-16-17(22)18-8-15(24)21(16)3;3*1-12-3-5-13(6-4-12)7-8-18-14(23)10-22-11-20-16-17(22)19-9-15(24)21(16)2;1-9-3-4-10-11(5-9)25-16(19-10)20-12(23)7-22-8-18-14-15(22)17-6-13(24)21(14)2/h5-8,10H,9H2,1-4H3,(H,22,23,26);4-8,10-11H,9H2,1-3H3,(H,20,23);3*3-6,9,11H,7-8,10H2,1-2H3,(H,18,23);3-6,8H,7H2,1-2H3,(H,19,20,23).

What are the key properties of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?

N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 2036.29 g/mol, XLogP of 8.18, 25 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;N-(6-methyl-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)acetamide;tris(2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide);2-(4-methyl-5-oxoimidazo[4,5-b]pyrazin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 158391468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).