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

C107H109F10N23O11S5 — CID 164993174

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

bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-1,3-benzothiazole;2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid (PubChem CID 164993174) has the molecular formula C107H109F10N23O11S5 and a molecular weight of 2243.51 g/mol. Its IUPAC name is bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-1,3-benzothiazole;2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid.

Molecular Properties

• Compound Name: bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-1,3-benzothiazole;2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid
• PubChem CID: 164993174
• Molecular Formula: C107H109F10N23O11S5
• Molecular Weight: 2243.51 g/mol
• Exact Mass: 2241.71
• IUPAC Name: bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-1,3-benzothiazole;2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid
• SMILES: C[C@H]1CN[C@H](c2ccc3scnc3c2)CC1(F)F.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc3scnc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)O)cnc1C
• InChI: InChI=1S/C22H22F2N4O2S.3C21H21F2N5O2S.C13H14F2N2S.C9H10N2O3/c1-12-6-16(9-25-14(12)3)27-20(29)21(30)28-10-13(2)22(23,24)8-18(28)15-4-5-19-17(7-15)26-11-31-19;3*1-11-5-14(8-25-18(11)24)27-19(29)20(30)28-9-12(2)21(22,23)7-16(28)13-3-4-17-15(6-13)26-10-31-17;1-8-6-16-11(5-13(8,14)15)9-2-3-12-10(4-9)17-7-18-12;1-5-3-7(4-10-6(5)2)11-8(12)9(13)14/h4-7,9,11,13,18H,8,10H2,1-3H3,(H,27,29);3*3-6,8,10,12,16H,7,9H2,1-2H3,(H2,24,25)(H,27,29);2-4,7-8,11,16H,5-6H2,1H3;3-4H,1-2H3,(H,11,12)(H,13,14)/t13-,18-;3*12-,16-;8-,11-;/m01000./s1
• InChIKey: HDTFVVDKZMOACA-XICIVPPRSA-N
• XLogP: 20.11
• TPSA: 483.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2243.51
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-1,3-benzothiazole;2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid (CID 164993174) is bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-1,3-benzothiazole;2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid.

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

The canonical SMILES for bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-1,3-benzothiazole;2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid is C[C@H]1CN[C@H](c2ccc3scnc3c2)CC1(F)F.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)C(F)(F)C[C@@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc3scnc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)C(F)(F)C[C@H]2c2ccc3scnc3c2)cnc1N.Cc1cc(NC(=O)C(=O)O)cnc1C.

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

The InChIKey is HDTFVVDKZMOACA-XICIVPPRSA-N. The full InChI is InChI=1S/C22H22F2N4O2S.3C21H21F2N5O2S.C13H14F2N2S.C9H10N2O3/c1-12-6-16(9-25-14(12)3)27-20(29)21(30)28-10-13(2)22(23,24)8-18(28)15-4-5-19-17(7-15)26-11-31-19;3*1-11-5-14(8-25-18(11)24)27-19(29)20(30)28-9-12(2)21(22,23)7-16(28)13-3-4-17-15(6-13)26-10-31-17;1-8-6-16-11(5-13(8,14)15)9-2-3-12-10(4-9)17-7-18-12;1-5-3-7(4-10-6(5)2)11-8(12)9(13)14/h4-7,9,11,13,18H,8,10H2,1-3H3,(H,27,29);3*3-6,8,10,12,16H,7,9H2,1-2H3,(H2,24,25)(H,27,29);2-4,7-8,11,16H,5-6H2,1H3;3-4H,1-2H3,(H,11,12)(H,13,14)/t13-,18-;3*12-,16-;8-,11-;/m01000./s1.

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

bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-1,3-benzothiazole;2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid has a molecular weight of 2243.51 g/mol, XLogP of 20.11, 10 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2S,5S)-2-(1,3-benzothiazol-5-yl)-4,4-difluoro-5-methylpiperidin-1-yl]-N-(5,6-dimethyl-3-pyridinyl)-2-oxoacetamide;5-[(2S,5S)-4,4-difluoro-5-methylpiperidin-2-yl]-1,3-benzothiazole;2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 164993174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).