N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole

C85H108N16O7S3 — CID 164961805

About N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole

N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole (PubChem CID 164961805) has the molecular formula C85H108N16O7S3 and a molecular weight of 1562.10 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
• PubChem CID: 164961805
• Molecular Formula: C85H108N16O7S3
• Molecular Weight: 1562.10 g/mol
• Exact Mass: 1560.77
• IUPAC Name: N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
• SMILES: CC1CCC(c2ccc3sc(C4CCN(C)CC4)nc3c2)NC1.Cc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3sc(C4CCN(C)CC4)nc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3sc(C4CCN(C)CC4)nc3c2)cnc1N.Cc1ncc(NC(=O)C(=O)O)cc1C1CC1
• InChI: InChI=1S/C28H35N5O2S.C27H34N6O2S.C19H27N3S.C11H12N2O3/c1-17-5-7-24(33(16-17)28(35)26(34)30-22-13-18(2)19(3)29-15-22)21-6-8-25-23(14-21)31-27(36-25)20-9-11-32(4)12-10-20;1-16-4-6-22(33(15-16)27(35)25(34)30-20-12-17(2)24(28)29-14-20)19-5-7-23-21(13-19)31-26(36-23)18-8-10-32(3)11-9-18;1-13-3-5-16(20-12-13)15-4-6-18-17(11-15)21-19(23-18)14-7-9-22(2)10-8-14;1-6-9(7-2-3-7)4-8(5-12-6)13-10(14)11(15)16/h6,8,13-15,17,20,24H,5,7,9-12,16H2,1-4H3,(H,30,34);5,7,12-14,16,18,22H,4,6,8-11,15H2,1-3H3,(H2,28,29)(H,30,34);4,6,11,13-14,16,20H,3,5,7-10,12H2,1-2H3;4-5,7H,2-3H2,1H3,(H,13,14)(H,15,16)
• InChIKey: BYCGBJOLFIKBMJ-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 290.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1562.10
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?

The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole (CID 164961805) is N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole.

What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?

The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole is CC1CCC(c2ccc3sc(C4CCN(C)CC4)nc3c2)NC1.Cc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3sc(C4CCN(C)CC4)nc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3sc(C4CCN(C)CC4)nc3c2)cnc1N.Cc1ncc(NC(=O)C(=O)O)cc1C1CC1.

What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?

The InChIKey is BYCGBJOLFIKBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2S.C27H34N6O2S.C19H27N3S.C11H12N2O3/c1-17-5-7-24(33(16-17)28(35)26(34)30-22-13-18(2)19(3)29-15-22)21-6-8-25-23(14-21)31-27(36-25)20-9-11-32(4)12-10-20;1-16-4-6-22(33(15-16)27(35)25(34)30-20-12-17(2)24(28)29-14-20)19-5-7-23-21(13-19)31-26(36-23)18-8-10-32(3)11-9-18;1-13-3-5-16(20-12-13)15-4-6-18-17(11-15)21-19(23-18)14-7-9-22(2)10-8-14;1-6-9(7-2-3-7)4-8(5-12-6)13-10(14)11(15)16/h6,8,13-15,17,20,24H,5,7,9-12,16H2,1-4H3,(H,30,34);5,7,12-14,16,18,22H,4,6,8-11,15H2,1-3H3,(H2,28,29)(H,30,34);4,6,11,13-14,16,20H,3,5,7-10,12H2,1-2H3;4-5,7H,2-3H2,1H3,(H,13,14)(H,15,16).

What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?

N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole has a molecular weight of 1562.10 g/mol, XLogP of 14.84, 10 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-[(5-cyclopropyl-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-(1-methylpiperidin-4-yl)-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 164961805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).