2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole

C75H95N15O10S3 — CID 164951566

About 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole

2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole (PubChem CID 164951566) has the molecular formula C75H95N15O10S3 and a molecular weight of 1462.88 g/mol. Its IUPAC name is 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole
• PubChem CID: 164951566
• Molecular Formula: C75H95N15O10S3
• Molecular Weight: 1462.88 g/mol
• Exact Mass: 1461.65
• IUPAC Name: 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole
• SMILES: CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(CCOC)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3sc(CCOC)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)O)cnc1N.COCCc1nc2cc([C@@H]3CC[C@@H](C)CN3)ccc2s1
• InChI: InChI=1S/2C25H31N5O3S.C16H22N2OS.C9H11N3O3/c2*1-4-16-11-18(13-27-23(16)26)28-24(31)25(32)30-14-15(2)5-7-20(30)17-6-8-21-19(12-17)29-22(34-21)9-10-33-3;1-11-3-5-13(17-10-11)12-4-6-15-14(9-12)18-16(20-15)7-8-19-2;1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h2*6,8,11-13,15,20H,4-5,7,9-10,14H2,1-3H3,(H2,26,27)(H,28,31);4,6,9,11,13,17H,3,5,7-8,10H2,1-2H3;3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)/t2*15-,20+;11-,13+;/m101./s1
• InChIKey: APINQCURZBNNTH-RWMOCHSCSA-N
• XLogP: 11.72
• TPSA: 360.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1462.88
LogP ≤ 5	11.72
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-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole?

The IUPAC name of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole (CID 164951566) is 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole.

What is the SMILES notation for 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole?

The canonical SMILES for 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(CCOC)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3sc(CCOC)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)O)cnc1N.COCCc1nc2cc([C@@H]3CC[C@@H](C)CN3)ccc2s1.

What is the InChIKey of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole?

The InChIKey is APINQCURZBNNTH-RWMOCHSCSA-N. The full InChI is InChI=1S/2C25H31N5O3S.C16H22N2OS.C9H11N3O3/c2*1-4-16-11-18(13-27-23(16)26)28-24(31)25(32)30-14-15(2)5-7-20(30)17-6-8-21-19(12-17)29-22(34-21)9-10-33-3;1-11-3-5-13(17-10-11)12-4-6-15-14(9-12)18-16(20-15)7-8-19-2;1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h2*6,8,11-13,15,20H,4-5,7,9-10,14H2,1-3H3,(H2,26,27)(H,28,31);4,6,9,11,13,17H,3,5,7-8,10H2,1-2H3;3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)/t2*15-,20+;11-,13+;/m101./s1.

What are the key properties of 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole?

2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole has a molecular weight of 1462.88 g/mol, XLogP of 11.72, 18 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-(2-methoxyethyl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;2-(2-methoxyethyl)-5-[(2S,5R)-5-methylpiperidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 164951566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).