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

C92H110N20O9S4 — CID 165015706

About 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole (PubChem CID 165015706) has the molecular formula C92H110N20O9S4 and a molecular weight of 1768.29 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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
• PubChem CID: 165015706
• Molecular Formula: C92H110N20O9S4
• Molecular Weight: 1768.29 g/mol
• Exact Mass: 1766.76
• IUPAC Name: 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
• SMILES: CCc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3sc(C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3sc(C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)O)cnc1N.Cc1nc2cc(C3CCC(C)CN3)ccc2s1
• InChI: InChI=1S/3C23H27N5O2S.C14H18N2S.C9H11N3O3/c3*1-4-15-9-17(11-25-21(15)24)27-22(29)23(30)28-12-13(2)5-7-19(28)16-6-8-20-18(10-16)26-14(3)31-20;1-9-3-5-12(15-8-9)11-4-6-14-13(7-11)16-10(2)17-14;1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h3*6,8-11,13,19H,4-5,7,12H2,1-3H3,(H2,24,25)(H,27,29);4,6-7,9,12,15H,3,5,8H2,1-2H3;3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)/t2*13-,19+;;;/m10.../s1
• InChIKey: KJQLNQXXXXONHZ-SMQVDWMQSA-N
• XLogP: 16.16
• TPSA: 433.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1768.29
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole (CID 165015706) is 2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole is CCc1cc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3sc(C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3sc(C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)O)cnc1N.Cc1nc2cc(C3CCC(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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole?

The InChIKey is KJQLNQXXXXONHZ-SMQVDWMQSA-N. The full InChI is InChI=1S/3C23H27N5O2S.C14H18N2S.C9H11N3O3/c3*1-4-15-9-17(11-25-21(15)24)27-22(29)23(30)28-12-13(2)5-7-19(28)16-6-8-20-18(10-16)26-14(3)31-20;1-9-3-5-12(15-8-9)11-4-6-14-13(7-11)16-10(2)17-14;1-2-5-3-6(4-11-7(5)10)12-8(13)9(14)15/h3*6,8-11,13,19H,4-5,7,12H2,1-3H3,(H2,24,25)(H,27,29);4,6-7,9,12,15H,3,5,8H2,1-2H3;3-4H,2H2,1H3,(H2,10,11)(H,12,13)(H,14,15)/t2*13-,19+;;;/m10.../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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole has a molecular weight of 1768.29 g/mol, XLogP of 16.16, 12 rotatable bonds, 10 hydrogen bond donors, and 25 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-[(2R,5S)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[5-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)piperidin-1-yl]-2-oxoacetamide;2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 165015706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).