methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane

C66H62BBrCl4N6O6S2 — CID 167544346

About methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane

methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane (PubChem CID 167544346) has the molecular formula C66H62BBrCl4N6O6S2 and a molecular weight of 1331.92 g/mol. Its IUPAC name is methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane
• PubChem CID: 167544346
• Molecular Formula: C66H62BBrCl4N6O6S2
• Molecular Weight: 1331.92 g/mol
• Exact Mass: 1328.22
• IUPAC Name: methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc3ccccc3c2)OC1(C)C.COC(=O)c1cc(-c2ccc3ccccc3c2)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1
• InChI: InChI=1S/C30H25Cl2N3O2S.C20H18BrCl2N3O2S.C16H19BO2/c1-17(2)12-26-27(21-10-11-24(31)25(32)15-21)34-30(38-26)35-28-23(29(36)37-3)14-22(16-33-28)20-9-8-18-6-4-5-7-19(18)13-20;1-10(2)6-16-17(11-4-5-14(22)15(23)7-11)25-20(29-16)26-18-13(19(27)28-3)8-12(21)9-24-18;1-15(2)16(3,4)19-17(18-15)14-10-9-12-7-5-6-8-13(12)11-14/h4-11,13-17H,12H2,1-3H3,(H,33,34,35);4-5,7-10H,6H2,1-3H3,(H,24,25,26);5-11H,1-4H3
• InChIKey: BPCSDIBIOCTNIW-UHFFFAOYSA-N
• XLogP: 19.20
• TPSA: 146.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.92
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane?

The IUPAC name of methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane (CID 167544346) is methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane.

What is the SMILES notation for methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane?

The canonical SMILES for methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3ccccc3c2)OC1(C)C.COC(=O)c1cc(-c2ccc3ccccc3c2)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1.COC(=O)c1cc(Br)cnc1Nc1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1.

What is the InChIKey of methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane?

The InChIKey is BPCSDIBIOCTNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2N3O2S.C20H18BrCl2N3O2S.C16H19BO2/c1-17(2)12-26-27(21-10-11-24(31)25(32)15-21)34-30(38-26)35-28-23(29(36)37-3)14-22(16-33-28)20-9-8-18-6-4-5-7-19(18)13-20;1-10(2)6-16-17(11-4-5-14(22)15(23)7-11)25-20(29-16)26-18-13(19(27)28-3)8-12(21)9-24-18;1-15(2)16(3,4)19-17(18-15)14-10-9-12-7-5-6-8-13(12)11-14/h4-11,13-17H,12H2,1-3H3,(H,33,34,35);4-5,7-10H,6H2,1-3H3,(H,24,25,26);5-11H,1-4H3.

What are the key properties of methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane?

methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane has a molecular weight of 1331.92 g/mol, XLogP of 19.20, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-bromo-2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate;methyl 2-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-naphthalen-2-ylpyridine-3-carboxylate;4,4,5,5-tetramethyl-2-naphthalen-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 167544346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).