2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole

C81H98N18O10S3 — CID 164995826

About 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole (PubChem CID 164995826) has the molecular formula C81H98N18O10S3 and a molecular weight of 1579.99 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
• PubChem CID: 164995826
• Molecular Formula: C81H98N18O10S3
• Molecular Weight: 1579.99 g/mol
• Exact Mass: 1578.69
• IUPAC Name: 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole
• SMILES: C[C@H]1CCC(c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CCC(c2ccc3sc(C4CCN(C)CC4)nc3c2)NC1.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.NC(=O)c1cncc(NC(=O)C(=O)O)c1
• InChI: InChI=1S/2C27H32N6O3S.C19H27N3S.C8H7N3O4/c2*1-16-3-5-22(33(15-16)27(36)25(35)30-20-11-19(24(28)34)13-29-14-20)18-4-6-23-21(12-18)31-26(37-23)17-7-9-32(2)10-8-17;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;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h2*4,6,11-14,16-17,22H,3,5,7-10,15H2,1-2H3,(H2,28,34)(H,30,35);4,6,11,13-14,16,20H,3,5,7-10,12H2,1-2H3;1-3H,(H2,9,12)(H,11,13)(H,14,15)/t16-,22?;16-,22+;13-,16?;/m000./s1
• InChIKey: HNTCJCZXGLEFSH-IBPAOZRJSA-N
• XLogP: 10.45
• TPSA: 393.58 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1579.99
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole?

The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole (CID 164995826) is 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole.

What is the SMILES notation for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole?

The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole is C[C@H]1CCC(c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@H]1CCC(c2ccc3sc(C4CCN(C)CC4)nc3c2)NC1.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.NC(=O)c1cncc(NC(=O)C(=O)O)c1.

What is the InChIKey of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole?

The InChIKey is HNTCJCZXGLEFSH-IBPAOZRJSA-N. The full InChI is InChI=1S/2C27H32N6O3S.C19H27N3S.C8H7N3O4/c2*1-16-3-5-22(33(15-16)27(36)25(35)30-20-11-19(24(28)34)13-29-14-20)18-4-6-23-21(12-18)31-26(37-23)17-7-9-32(2)10-8-17;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;9-6(12)4-1-5(3-10-2-4)11-7(13)8(14)15/h2*4,6,11-14,16-17,22H,3,5,7-10,15H2,1-2H3,(H2,28,34)(H,30,35);4,6,11,13-14,16,20H,3,5,7-10,12H2,1-2H3;1-3H,(H2,9,12)(H,11,13)(H,14,15)/t16-,22?;16-,22+;13-,16?;/m000./s1.

What are the key properties of 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole?

2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole has a molecular weight of 1579.99 g/mol, XLogP of 10.45, 12 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-(1-methylpiperidin-4-yl)-5-[(5S)-5-methylpiperidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 164995826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).