lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride

C110H109BBrCl2LiN16O23S5 — CID 158826287

About lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride

lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride (PubChem CID 158826287) has the molecular formula C110H109BBrCl2LiN16O23S5 and a molecular weight of 2352.07 g/mol. Its IUPAC name is lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride
• PubChem CID: 158826287
• Molecular Formula: C110H109BBrCl2LiN16O23S5
• Molecular Weight: 2352.07 g/mol
• Exact Mass: 2348.53
• IUPAC Name: lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride
• SMILES: C.CC1(C)OB(c2cccc3c2CC(=O)C3)OC1(C)C.CCOC(=O)c1nsnc1-c1cccc2c1CC(=O)C2.CCOC(=O)c1nsnc1Cl.Cl.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1CC(=O)C2.NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1CC(=O)C2.NC(=O)C(O)C(N)Cc1ccccc1.O=C1Cc2cccc(-c3nsnc3C(=O)O)c2C1.O=C1Cc2cccc(Br)c2C1.[Li+].[OH-]
• InChI: InChI=1S/C22H20N4O4S.C22H18N4O4S.C15H19BO3.C14H12N2O3S.C12H8N2O3S.C10H14N2O2.C9H7BrO.C5H5ClN2O2S.CH4.ClH.Li.H2O/c2*23-21(29)20(28)17(9-12-5-2-1-3-6-12)24-22(30)19-18(25-31-26-19)15-8-4-7-13-10-14(27)11-16(13)15;1-14(2)15(3,4)19-16(18-14)13-7-5-6-10-8-11(17)9-12(10)13;1-2-19-14(18)13-12(15-20-16-13)10-5-3-4-8-6-9(17)7-11(8)10;15-7-4-6-2-1-3-8(9(6)5-7)10-11(12(16)17)14-18-13-10;11-8(9(13)10(12)14)6-7-4-2-1-3-5-7;10-9-3-1-2-6-4-7(11)5-8(6)9;1-2-10-5(9)3-4(6)8-11-7-3;;;;/h1-8,17,20,28H,9-11H2,(H2,23,29)(H,24,30);1-8,17H,9-11H2,(H2,23,29)(H,24,30);5-7H,8-9H2,1-4H3;3-5H,2,6-7H2,1H3;1-3H,4-5H2,(H,16,17);1-5,8-9,13H,6,11H2,(H2,12,14);1-3H,4-5H2;2H2,1H3;1H4;1H;;1H2/q;;;;;;;;;;+1;/p-1
• InChIKey: PDVPSNRRQYVQEM-UHFFFAOYSA-M
• XLogP: 8.38
• TPSA: 640.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2352.07
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride?

The IUPAC name of lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride (CID 158826287) is lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride.

What is the SMILES notation for lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride?

The canonical SMILES for lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride is C.CC1(C)OB(c2cccc3c2CC(=O)C3)OC1(C)C.CCOC(=O)c1nsnc1-c1cccc2c1CC(=O)C2.CCOC(=O)c1nsnc1Cl.Cl.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1CC(=O)C2.NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1CC(=O)C2.NC(=O)C(O)C(N)Cc1ccccc1.O=C1Cc2cccc(-c3nsnc3C(=O)O)c2C1.O=C1Cc2cccc(Br)c2C1.[Li+].[OH-].

What is the InChIKey of lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride?

The InChIKey is PDVPSNRRQYVQEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20N4O4S.C22H18N4O4S.C15H19BO3.C14H12N2O3S.C12H8N2O3S.C10H14N2O2.C9H7BrO.C5H5ClN2O2S.CH4.ClH.Li.H2O/c2*23-21(29)20(28)17(9-12-5-2-1-3-6-12)24-22(30)19-18(25-31-26-19)15-8-4-7-13-10-14(27)11-16(13)15;1-14(2)15(3,4)19-16(18-14)13-7-5-6-10-8-11(17)9-12(10)13;1-2-19-14(18)13-12(15-20-16-13)10-5-3-4-8-6-9(17)7-11(8)10;15-7-4-6-2-1-3-8(9(6)5-7)10-11(12(16)17)14-18-13-10;11-8(9(13)10(12)14)6-7-4-2-1-3-5-7;10-9-3-1-2-6-4-7(11)5-8(6)9;1-2-10-5(9)3-4(6)8-11-7-3;;;;/h1-8,17,20,28H,9-11H2,(H2,23,29)(H,24,30);1-8,17H,9-11H2,(H2,23,29)(H,24,30);5-7H,8-9H2,1-4H3;3-5H,2,6-7H2,1H3;1-3H,4-5H2,(H,16,17);1-5,8-9,13H,6,11H2,(H2,12,14);1-3H,4-5H2;2H2,1H3;1H4;1H;;1H2/q;;;;;;;;;;+1;/p-1.

What are the key properties of lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride?

lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride has a molecular weight of 2352.07 g/mol, XLogP of 8.38, 26 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxamide;3-amino-2-hydroxy-4-phenylbutanamide;4-bromo-1,3-dihydroinden-2-one;ethyl 4-chloro-1,2,5-thiadiazole-3-carboxylate;ethyl 4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylate;methane;4-(2-oxo-1,3-dihydroinden-4-yl)-1,2,5-thiadiazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroinden-2-one;hydroxide;hydrochloride is sourced from PubChem (CID 158826287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).