lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide

C109H110B3BrF12LiN15O22S4 — CID 167593393

About lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide

lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide (PubChem CID 167593393) has the molecular formula C109H110B3BrF12LiN15O22S4 and a molecular weight of 2457.69 g/mol. Its IUPAC name is lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide
• PubChem CID: 167593393
• Molecular Formula: C109H110B3BrF12LiN15O22S4
• Molecular Weight: 2457.69 g/mol
• Exact Mass: 2455.63
• IUPAC Name: lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(N3C(=O)CCC3=O)cc2)c(C2CC2)s1.O=C(O)CCC(=O)Nc1ccc(-c2nc(Nc3ncc(C(F)(F)F)cc3C(=O)O)sc2C2CC2)cc1.O=C1CCC(=O)N1.[Li+].[OH-]
• InChI: InChI=1S/C26H27BF3N3O4S.C24H19F3N4O4S.C23H19F3N4O5S.C20H15BrF3N3O2S.C12H24B2O4.C4H5NO2.Li.H2O/c1-24(2)25(3,4)37-27(36-24)17-10-8-14(9-11-17)19-20(15-6-7-15)38-23(32-19)33-21-18(22(34)35-5)12-16(13-31-21)26(28,29)30;1-35-22(34)16-10-14(24(25,26)27)11-28-21(16)30-23-29-19(20(36-23)13-2-3-13)12-4-6-15(7-5-12)31-17(32)8-9-18(31)33;24-23(25,26)13-9-15(21(34)35)20(27-10-13)30-22-29-18(19(36-22)12-1-2-12)11-3-5-14(6-4-11)28-16(31)7-8-17(32)33;1-29-18(28)14-8-12(20(22,23)24)9-25-17(14)27-19-26-15(16(30-19)11-2-3-11)10-4-6-13(21)7-5-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;6-3-1-2-4(7)5-3;;/h8-13,15H,6-7H2,1-5H3,(H,31,32,33);4-7,10-11,13H,2-3,8-9H2,1H3,(H,28,29,30);3-6,9-10,12H,1-2,7-8H2,(H,28,31)(H,32,33)(H,34,35)(H,27,29,30);4-9,11H,2-3H2,1H3,(H,25,26,27);1-8H3;1-2H2,(H,5,6,7);;1H2/q;;;;;;+1;/p-1
• InChIKey: ISEXJXXYBWPDJA-UHFFFAOYSA-M
• XLogP: 21.46
• TPSA: 502.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2457.69
LogP ≤ 5	21.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

The IUPAC name of lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide (CID 167593393) is lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide.

What is the SMILES notation for lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

The canonical SMILES for lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(N3C(=O)CCC3=O)cc2)c(C2CC2)s1.O=C(O)CCC(=O)Nc1ccc(-c2nc(Nc3ncc(C(F)(F)F)cc3C(=O)O)sc2C2CC2)cc1.O=C1CCC(=O)N1.[Li+].[OH-].

What is the InChIKey of lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

The InChIKey is ISEXJXXYBWPDJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H27BF3N3O4S.C24H19F3N4O4S.C23H19F3N4O5S.C20H15BrF3N3O2S.C12H24B2O4.C4H5NO2.Li.H2O/c1-24(2)25(3,4)37-27(36-24)17-10-8-14(9-11-17)19-20(15-6-7-15)38-23(32-19)33-21-18(22(34)35-5)12-16(13-31-21)26(28,29)30;1-35-22(34)16-10-14(24(25,26)27)11-28-21(16)30-23-29-19(20(36-23)13-2-3-13)12-4-6-15(7-5-12)31-17(32)8-9-18(31)33;24-23(25,26)13-9-15(21(34)35)20(27-10-13)30-22-29-18(19(36-22)12-1-2-12)11-3-5-14(6-4-11)28-16(31)7-8-17(32)33;1-29-18(28)14-8-12(20(22,23)24)9-25-17(14)27-19-26-15(16(30-19)11-2-3-11)10-4-6-13(21)7-5-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;6-3-1-2-4(7)5-3;;/h8-13,15H,6-7H2,1-5H3,(H,31,32,33);4-7,10-11,13H,2-3,8-9H2,1H3,(H,28,29,30);3-6,9-10,12H,1-2,7-8H2,(H,28,31)(H,32,33)(H,34,35)(H,27,29,30);4-9,11H,2-3H2,1H3,(H,25,26,27);1-8H3;1-2H2,(H,5,6,7);;1H2/q;;;;;;+1;/p-1.

What are the key properties of lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide has a molecular weight of 2457.69 g/mol, XLogP of 21.46, 27 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[[4-[4-(3-carboxypropanoylamino)phenyl]-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-[[4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-cyclopropyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;pyrrolidine-2,5-dione;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide is sourced from PubChem (CID 167593393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).