sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide

C125H128BBr3Cl5N22NaO20S5 — CID 159638416

About sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide

sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide (PubChem CID 159638416) has the molecular formula C125H128BBr3Cl5N22NaO20S5 and a molecular weight of 2869.65 g/mol. Its IUPAC name is sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide
• PubChem CID: 159638416
• Molecular Formula: C125H128BBr3Cl5N22NaO20S5
• Molecular Weight: 2869.65 g/mol
• Exact Mass: 2862.43
• IUPAC Name: sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide
• SMILES: Brc1csc(Br)n1.COC(=O)c1ccc2nc(CN3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(CN3CC=C(c4csc(OCc5ccc(Cl)cn5)n4)CC3)n(C[C@@H]3CCO3)c2c1.Clc1ccc(COc2nc(Br)cs2)nc1.O=C(O)c1ccc2nc(CN3CC=C(c4csc(OCc5ccc(Cl)cn5)n4)CC3)n(C[C@@H]3CCO3)c2c1.O=C(O)c1ccc2nc(CN3CC=C(c4csc(OCc5ccc(Cl)cn5)n4)CC3)n(C[C@@H]3CCO3)c2c1.OCc1ccc(Cl)cn1.[Na+].[OH-]
• InChI: InChI=1S/C28H28ClN5O4S.2C27H26ClN5O4S.C25H34BN3O5.C9H6BrClN2OS.C6H6ClNO.C3HBr2NS.Na.H2O/c1-36-27(35)19-2-5-23-25(12-19)34(14-22-8-11-37-22)26(31-23)15-33-9-6-18(7-10-33)24-17-39-28(32-24)38-16-21-4-3-20(29)13-30-21;2*28-19-2-3-20(29-12-19)15-37-27-31-23(16-38-27)17-5-8-32(9-6-17)14-25-30-22-4-1-18(26(34)35)11-24(22)33(25)13-21-7-10-36-21;1-24(2)25(3,4)34-26(33-24)18-8-11-28(12-9-18)16-22-27-20-7-6-17(23(30)31-5)14-21(20)29(22)15-19-10-13-32-19;10-8-5-15-9(13-8)14-4-7-2-1-6(11)3-12-7;7-5-1-2-6(4-9)8-3-5;4-2-1-7-3(5)6-2;;/h2-6,12-13,17,22H,7-11,14-16H2,1H3;2*1-5,11-12,16,21H,6-10,13-15H2,(H,34,35);6-8,14,19H,9-13,15-16H2,1-5H3;1-3,5H,4H2;1-3,9H,4H2;1H;;1H2/q;;;;;;;+1;/p-1/t22-;2*21-;19-;;;;;/m0000...../s1
• InChIKey: MQAMPMQYZVMOLS-SWBZIOEUSA-M
• XLogP: 22.41
• TPSA: 482.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 45
• Rotatable Bonds: 37
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2869.65
LogP ≤ 5	22.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide?

The IUPAC name of sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide (CID 159638416) is sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide.

What is the SMILES notation for sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide?

The canonical SMILES for sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide is Brc1csc(Br)n1.COC(=O)c1ccc2nc(CN3CC=C(B4OC(C)(C)C(C)(C)O4)CC3)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(CN3CC=C(c4csc(OCc5ccc(Cl)cn5)n4)CC3)n(C[C@@H]3CCO3)c2c1.Clc1ccc(COc2nc(Br)cs2)nc1.O=C(O)c1ccc2nc(CN3CC=C(c4csc(OCc5ccc(Cl)cn5)n4)CC3)n(C[C@@H]3CCO3)c2c1.O=C(O)c1ccc2nc(CN3CC=C(c4csc(OCc5ccc(Cl)cn5)n4)CC3)n(C[C@@H]3CCO3)c2c1.OCc1ccc(Cl)cn1.[Na+].[OH-].

What is the InChIKey of sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide?

The InChIKey is MQAMPMQYZVMOLS-SWBZIOEUSA-M. The full InChI is InChI=1S/C28H28ClN5O4S.2C27H26ClN5O4S.C25H34BN3O5.C9H6BrClN2OS.C6H6ClNO.C3HBr2NS.Na.H2O/c1-36-27(35)19-2-5-23-25(12-19)34(14-22-8-11-37-22)26(31-23)15-33-9-6-18(7-10-33)24-17-39-28(32-24)38-16-21-4-3-20(29)13-30-21;2*28-19-2-3-20(29-12-19)15-37-27-31-23(16-38-27)17-5-8-32(9-6-17)14-25-30-22-4-1-18(26(34)35)11-24(22)33(25)13-21-7-10-36-21;1-24(2)25(3,4)34-26(33-24)18-8-11-28(12-9-18)16-22-27-20-7-6-17(23(30)31-5)14-21(20)29(22)15-19-10-13-32-19;10-8-5-15-9(13-8)14-4-7-2-1-6(11)3-12-7;7-5-1-2-6(4-9)8-3-5;4-2-1-7-3(5)6-2;;/h2-6,12-13,17,22H,7-11,14-16H2,1H3;2*1-5,11-12,16,21H,6-10,13-15H2,(H,34,35);6-8,14,19H,9-13,15-16H2,1-5H3;1-3,5H,4H2;1-3,9H,4H2;1H;;1H2/q;;;;;;;+1;/p-1/t22-;2*21-;19-;;;;;/m0000...../s1.

What are the key properties of sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide?

sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide has a molecular weight of 2869.65 g/mol, XLogP of 22.41, 37 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazole;(5-chloro-2-pyridinyl)methanol;bis(2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);2,4-dibromo-1,3-thiazole;methyl 2-[[4-[2-[(5-chloro-2-pyridinyl)methoxy]-1,3-thiazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 3-[[(2S)-oxetan-2-yl]methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole-5-carboxylate;hydroxide is sourced from PubChem (CID 159638416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).