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

C108H130N24O17S4 — CID 165070866

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

2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole (PubChem CID 165070866) has the molecular formula C108H130N24O17S4 and a molecular weight of 2164.65 g/mol. Its IUPAC name is 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole
• PubChem CID: 165070866
• Molecular Formula: C108H130N24O17S4
• Molecular Weight: 2164.65 g/mol
• Exact Mass: 2162.89
• IUPAC Name: 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole
• SMILES: COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CCC2c2ccc3sc(C4CCN(C)C4)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C4)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C4)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)O)cc1C(N)=O.C[C@H]1CCC(c2ccc3sc(C4CCN(C)C4)nc3c2)NC1
• InChI: InChI=1S/3C27H32N6O4S.C18H25N3S.C9H9N3O5/c3*1-15-4-6-21(16-5-7-22-20(10-16)31-26(38-22)17-8-9-32(2)14-17)33(13-15)27(36)24(35)30-18-11-19(23(28)34)25(37-3)29-12-18;1-12-3-5-15(19-10-12)13-4-6-17-16(9-13)20-18(22-17)14-7-8-21(2)11-14;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16/h3*5,7,10-12,15,17,21H,4,6,8-9,13-14H2,1-3H3,(H2,28,34)(H,30,35);4,6,9,12,14-15,19H,3,5,7-8,10-11H2,1-2H3;2-3H,1H3,(H2,10,13)(H,12,14)(H,15,16)/t15-,17?,21?;15-,17+,21+;15-,17-,21+;12-,14?,15?;/m0000./s1
• InChIKey: SSOLWKJPAKZQLM-HSHYKNSXSA-N
• XLogP: 12.46
• TPSA: 552.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.65
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	10
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;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole?

The IUPAC name of 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole (CID 165070866) is 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole.

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

The canonical SMILES for 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole is COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CCC2c2ccc3sc(C4CCN(C)C4)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C4)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C4)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)O)cc1C(N)=O.C[C@H]1CCC(c2ccc3sc(C4CCN(C)C4)nc3c2)NC1.

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

The InChIKey is SSOLWKJPAKZQLM-HSHYKNSXSA-N. The full InChI is InChI=1S/3C27H32N6O4S.C18H25N3S.C9H9N3O5/c3*1-15-4-6-21(16-5-7-22-20(10-16)31-26(38-22)17-8-9-32(2)14-17)33(13-15)27(36)24(35)30-18-11-19(23(28)34)25(37-3)29-12-18;1-12-3-5-15(19-10-12)13-4-6-17-16(9-13)20-18(22-17)14-7-8-21(2)11-14;1-17-8-5(6(10)13)2-4(3-11-8)12-7(14)9(15)16/h3*5,7,10-12,15,17,21H,4,6,8-9,13-14H2,1-3H3,(H2,28,34)(H,30,35);4,6,9,12,14-15,19H,3,5,7-8,10-11H2,1-2H3;2-3H,1H3,(H2,10,13)(H,12,14)(H,15,16)/t15-,17?,21?;15-,17+,21+;15-,17-,21+;12-,14?,15?;/m0000./s1.

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

2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetic acid;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole has a molecular weight of 2164.65 g/mol, XLogP of 12.46, 20 rotatable bonds, 10 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;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3S)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-[(3R)-1-methylpyrrolidin-3-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-methoxy-5-[[2-[(5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[(5S)-5-methylpiperidin-2-yl]-2-(1-methylpyrrolidin-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 165070866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).