2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine

C92H106N24O17S4 — CID 164960714

About 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine

2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 164960714) has the molecular formula C92H106N24O17S4 and a molecular weight of 1948.28 g/mol. Its IUPAC name is 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine
• PubChem CID: 164960714
• Molecular Formula: C92H106N24O17S4
• Molecular Weight: 1948.28 g/mol
• Exact Mass: 1946.71
• IUPAC Name: 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine
• SMILES: CNc1nc2cc(C3CCC(C)CN3)ccc2s1.CNc1nc2cc([C@@H]3CC[C@@H](C)CN3C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)ccc2s1.CNc1nc2cc([C@@H]3CC[C@@H](C)CN3C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)ccc2s1.CNc1nc2cc([C@H]3CC[C@H](C)CN3C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)ccc2s1.COc1ncc(NC(=O)C(=O)O)cc1C(N)=O
• InChI: InChI=1S/3C23H26N6O4S.C14H19N3S.C9H9N3O5/c3*1-12-4-6-17(13-5-7-18-16(8-13)28-23(25-2)34-18)29(11-12)22(32)20(31)27-14-9-15(19(24)30)21(33-3)26-10-14;1-9-3-5-11(16-8-9)10-4-6-13-12(7-10)17-14(15-2)18-13;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16/h3*5,7-10,12,17H,4,6,11H2,1-3H3,(H2,24,30)(H,25,28)(H,27,31);4,6-7,9,11,16H,3,5,8H2,1-2H3,(H,15,17);2-3H,1H3,(H2,10,13)(H,12,14)(H,15,16)/t3*12-,17+;;/m110../s1
• InChIKey: BUKXNBAPBNGFEB-YAHHVCAOSA-N
• XLogP: 10.95
• TPSA: 587.18 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1948.28
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine?

The IUPAC name of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine (CID 164960714) is 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine.

What is the SMILES notation for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine?

The canonical SMILES for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine is CNc1nc2cc(C3CCC(C)CN3)ccc2s1.CNc1nc2cc([C@@H]3CC[C@@H](C)CN3C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)ccc2s1.CNc1nc2cc([C@@H]3CC[C@@H](C)CN3C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)ccc2s1.CNc1nc2cc([C@H]3CC[C@H](C)CN3C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)ccc2s1.COc1ncc(NC(=O)C(=O)O)cc1C(N)=O.

What is the InChIKey of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine?

The InChIKey is BUKXNBAPBNGFEB-YAHHVCAOSA-N. The full InChI is InChI=1S/3C23H26N6O4S.C14H19N3S.C9H9N3O5/c3*1-12-4-6-17(13-5-7-18-16(8-13)28-23(25-2)34-18)29(11-12)22(32)20(31)27-14-9-15(19(24)30)21(33-3)26-10-14;1-9-3-5-11(16-8-9)10-4-6-13-12(7-10)17-14(15-2)18-13;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16/h3*5,7-10,12,17H,4,6,11H2,1-3H3,(H2,24,30)(H,25,28)(H,27,31);4,6-7,9,11,16H,3,5,8H2,1-2H3,(H,15,17);2-3H,1H3,(H2,10,13)(H,12,14)(H,15,16)/t3*12-,17+;;/m110../s1.

What are the key properties of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine?

2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 1948.28 g/mol, XLogP of 10.95, 20 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;bis(2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;N-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 164960714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).