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

C78H84N20O6S3 — CID 165028974

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 165028974) has the molecular formula C78H84N20O6S3 and a molecular weight of 1493.86 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
• PubChem CID: 165028974
• Molecular Formula: C78H84N20O6S3
• Molecular Weight: 1493.86 g/mol
• Exact Mass: 1492.60
• IUPAC Name: N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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(-c4ccncc4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(-c4nccn4C)nc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(-c4nccn4C)nc3c2)cnc1N
• InChI: InChI=1S/C27H28N6O2S.C26H29N7O2S.C25H27N7O2S/c1-3-17-12-20(14-30-24(17)28)31-25(34)27(35)33-15-16(2)4-6-22(33)19-5-7-23-21(13-19)32-26(36-23)18-8-10-29-11-9-18;1-4-16-11-18(13-29-22(16)27)30-24(34)26(35)33-14-15(2)5-7-20(33)17-6-8-21-19(12-17)31-25(36-21)23-28-9-10-32(23)3;1-14-4-6-19(32(13-14)25(34)23(33)29-17-10-15(2)21(26)28-12-17)16-5-7-20-18(11-16)30-24(35-20)22-27-8-9-31(22)3/h5,7-14,16,22H,3-4,6,15H2,1-2H3,(H2,28,30)(H,31,34);6,8-13,15,20H,4-5,7,14H2,1-3H3,(H2,27,29)(H,30,34);5,7-12,14,19H,4,6,13H2,1-3H3,(H2,26,28)(H,29,33)/t16-,22+;15-,20+;14-,19+/m000/s1
• InChIKey: MIMIEXKUHLNAEW-LJSDNCBBSA-N
• XLogP: 12.93
• TPSA: 352.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1493.86
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide (CID 165028974) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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(-c4ccncc4)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(-c4nccn4C)nc3c2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(-c4nccn4C)nc3c2)cnc1N.

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

The InChIKey is MIMIEXKUHLNAEW-LJSDNCBBSA-N. The full InChI is InChI=1S/C27H28N6O2S.C26H29N7O2S.C25H27N7O2S/c1-3-17-12-20(14-30-24(17)28)31-25(34)27(35)33-15-16(2)4-6-22(33)19-5-7-23-21(13-19)32-26(36-23)18-8-10-29-11-9-18;1-4-16-11-18(13-29-22(16)27)30-24(34)26(35)33-14-15(2)5-7-20(33)17-6-8-21-19(12-17)31-25(36-21)23-28-9-10-32(23)3;1-14-4-6-19(32(13-14)25(34)23(33)29-17-10-15(2)21(26)28-12-17)16-5-7-20-18(11-16)30-24(35-20)22-27-8-9-31(22)3/h5,7-14,16,22H,3-4,6,15H2,1-2H3,(H2,28,30)(H,31,34);6,8-13,15,20H,4-5,7,14H2,1-3H3,(H2,27,29)(H,30,34);5,7-12,14,19H,4,6,13H2,1-3H3,(H2,26,28)(H,29,33)/t16-,22+;15-,20+;14-,19+/m000/s1.

What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 1493.86 g/mol, XLogP of 12.93, 11 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-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-pyridin-4-yl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylimidazol-2-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 165028974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).