2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C68H61BBrClF4N20O4S4 — CID 159764152

About 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 159764152) has the molecular formula C68H61BBrClF4N20O4S4 and a molecular weight of 1552.80 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 159764152
• Molecular Formula: C68H61BBrClF4N20O4S4
• Molecular Weight: 1552.80 g/mol
• Exact Mass: 1550.30
• IUPAC Name: 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1nn(-c2nccs2)cc1-c1ccc(N)nc1.Cc1nn(-c2nccs2)cc1-c1ccc(N)nc1.Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1nn(-c2nccs2)cc1Br.O=C(Cl)c1c(F)cccc1F
• InChI: InChI=1S/C19H13F2N5OS.2C12H11N5S.C11H17BN2O2.C7H6BrN3S.C7H3ClF2O/c1-11-13(10-26(25-11)19-22-7-8-28-19)12-5-6-16(23-9-12)24-18(27)17-14(20)3-2-4-15(17)21;2*1-8-10(9-2-3-11(13)15-6-9)7-17(16-8)12-14-4-5-18-12;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-5-6(8)4-11(10-5)7-9-2-3-12-7;8-7(11)6-4(9)2-1-3-5(6)10/h2-10H,1H3,(H,23,24,27);2*2-7H,1H3,(H2,13,15);5-7H,1-4H3,(H2,13,14);2-4H,1H3;1-3H
• InChIKey: NFGXYOSCSUEOCH-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 317.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1552.80
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 159764152) is 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1nn(-c2nccs2)cc1-c1ccc(N)nc1.Cc1nn(-c2nccs2)cc1-c1ccc(N)nc1.Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1nn(-c2nccs2)cc1Br.O=C(Cl)c1c(F)cccc1F.

What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is NFGXYOSCSUEOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5OS.2C12H11N5S.C11H17BN2O2.C7H6BrN3S.C7H3ClF2O/c1-11-13(10-26(25-11)19-22-7-8-28-19)12-5-6-16(23-9-12)24-18(27)17-14(20)3-2-4-15(17)21;2*1-8-10(9-2-3-11(13)15-6-9)7-17(16-8)12-14-4-5-18-12;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-5-6(8)4-11(10-5)7-9-2-3-12-7;8-7(11)6-4(9)2-1-3-5(6)10/h2-10H,1H3,(H,23,24,27);2*2-7H,1H3,(H2,13,15);5-7H,1-4H3,(H2,13,14);2-4H,1H3;1-3H.

What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1552.80 g/mol, XLogP of 14.50, 11 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 159764152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).