2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C128H144N36O14S6 — CID 164983295

About 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164983295) has the molecular formula C128H144N36O14S6 and a molecular weight of 2603.20 g/mol. Its IUPAC name is 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 164983295
• Molecular Formula: C128H144N36O14S6
• Molecular Weight: 2603.20 g/mol
• Exact Mass: 2601.00
• IUPAC Name: 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(N)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3sc(N)nc3c2)cnc1N.C[C@@H]1CC[C@@H](c2ccc3sc(N)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3sc(N)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(N)nc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3sc(N)nc3c2)cnc1N
• InChI: InChI=1S/2C22H26N6O2S.2C21H22N6O3S.2C21H24N6O2S/c2*1-3-13-8-15(10-25-19(13)23)26-20(29)21(30)28-11-12(2)4-6-17(28)14-5-7-18-16(9-14)27-22(24)31-18;2*1-11-2-4-16(12-3-5-17-15(7-12)26-21(23)31-17)27(10-11)20(30)19(29)25-14-6-13(18(22)28)8-24-9-14;2*1-11-3-5-16(13-4-6-17-15(8-13)26-21(23)30-17)27(10-11)20(29)19(28)25-14-7-12(2)18(22)24-9-14/h2*5,7-10,12,17H,3-4,6,11H2,1-2H3,(H2,23,25)(H2,24,27)(H,26,29);2*3,5-9,11,16H,2,4,10H2,1H3,(H2,22,28)(H2,23,26)(H,25,29);2*4,6-9,11,16H,3,5,10H2,1-2H3,(H2,22,24)(H2,23,26)(H,25,28)/t2*12-,17+;4*11-,16+/m101010/s1
• InChIKey: FUKIVGMDRBUHHK-JRSVQGSXSA-N
• XLogP: 17.54
• TPSA: 797.52 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 42
• Rotatable Bonds: 16
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2603.20
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164983295) is 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(N)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3sc(N)nc3c2)cnc1N.C[C@@H]1CC[C@@H](c2ccc3sc(N)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3sc(N)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(N)nc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3sc(N)nc3c2)cnc1N.

What is the InChIKey of 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The InChIKey is FUKIVGMDRBUHHK-JRSVQGSXSA-N. The full InChI is InChI=1S/2C22H26N6O2S.2C21H22N6O3S.2C21H24N6O2S/c2*1-3-13-8-15(10-25-19(13)23)26-20(29)21(30)28-11-12(2)4-6-17(28)14-5-7-18-16(9-14)27-22(24)31-18;2*1-11-2-4-16(12-3-5-17-15(7-12)26-21(23)31-17)27(10-11)20(30)19(29)25-14-6-13(18(22)28)8-24-9-14;2*1-11-3-5-16(13-4-6-17-15(8-13)26-21(23)30-17)27(10-11)20(29)19(28)25-14-7-12(2)18(22)24-9-14/h2*5,7-10,12,17H,3-4,6,11H2,1-2H3,(H2,23,25)(H2,24,27)(H,26,29);2*3,5-9,11,16H,2,4,10H2,1H3,(H2,22,28)(H2,23,26)(H,25,29);2*4,6-9,11,16H,3,5,10H2,1-2H3,(H2,22,24)(H2,23,26)(H,25,28)/t2*12-,17+;4*11-,16+/m101010/s1.

What are the key properties of 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 2603.20 g/mol, XLogP of 17.54, 16 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide;2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide;5-[[2-[(2R,5S)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164983295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).