bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide

C180H237N33O12S6 — CID 165070884

About bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide

bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 165070884) has the molecular formula C180H237N33O12S6 and a molecular weight of 3247.50 g/mol. Its IUPAC name is bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 165070884
• Molecular Formula: C180H237N33O12S6
• Molecular Weight: 3247.50 g/mol
• Exact Mass: 3244.73
• IUPAC Name: bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)C(C)(C)C4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)C(C)(C)C4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C(C)(C)C4)nc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C(C)(C)C4)nc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C(C)(C)C4)nc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C(C)(C)C4)nc3c2)cnc1C
• InChI: InChI=1S/3C30H40N6O2S.3C30H39N5O2S/c3*1-6-19-13-22(16-32-26(19)31)33-27(37)29(38)36-17-18(2)7-9-24(36)20-8-10-25-23(14-20)34-28(39-25)21-11-12-35(5)30(3,4)15-21;3*1-18-7-9-25(35(17-18)29(37)27(36)32-23-13-19(2)20(3)31-16-23)21-8-10-26-24(14-21)33-28(38-26)22-11-12-34(6)30(4,5)15-22/h3*8,10,13-14,16,18,21,24H,6-7,9,11-12,15,17H2,1-5H3,(H2,31,32)(H,33,37);3*8,10,13-14,16,18,22,25H,7,9,11-12,15,17H2,1-6H3,(H,32,36)/t2*18-,21?,24+;18-,21+,24+;18-,22+,25+;2*18-,22-,25+/m000000/s1
• InChIKey: SSQVRCGAKPRDAJ-DEWVJRTRSA-N
• XLogP: 33.59
• TPSA: 548.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3247.50
LogP ≤ 5	33.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

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-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (CID 165070884) is bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)C(C)(C)C4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)C(C)(C)C4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C(C)(C)C4)nc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C(C)(C)C4)nc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C(C)(C)C4)nc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C(C)(C)C4)nc3c2)cnc1C.

What is the InChIKey of bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The InChIKey is SSQVRCGAKPRDAJ-DEWVJRTRSA-N. The full InChI is InChI=1S/3C30H40N6O2S.3C30H39N5O2S/c3*1-6-19-13-22(16-32-26(19)31)33-27(37)29(38)36-17-18(2)7-9-24(36)20-8-10-25-23(14-20)34-28(39-25)21-11-12-35(5)30(3,4)15-21;3*1-18-7-9-25(35(17-18)29(37)27(36)32-23-13-19(2)20(3)31-16-23)21-8-10-26-24(14-21)33-28(38-26)22-11-12-34(6)30(4,5)15-22/h3*8,10,13-14,16,18,21,24H,6-7,9,11-12,15,17H2,1-5H3,(H2,31,32)(H,33,37);3*8,10,13-14,16,18,22,25H,7,9,11-12,15,17H2,1-6H3,(H,32,36)/t2*18-,21?,24+;18-,21+,24+;18-,22+,25+;2*18-,22-,25+/m000000/s1.

What are the key properties of bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 3247.50 g/mol, XLogP of 33.59, 21 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1,2,2-trimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;bis(N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4S)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide);N-(5,6-dimethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-[(4R)-1,2,2-trimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 165070884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).