N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole

C63H51B2Br3F4N16O6S7 — CID 158189412

About N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole

N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole (PubChem CID 158189412) has the molecular formula C63H51B2Br3F4N16O6S7 and a molecular weight of 1690.00 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole
• PubChem CID: 158189412
• Molecular Formula: C63H51B2Br3F4N16O6S7
• Molecular Weight: 1690.00 g/mol
• Exact Mass: 1685.99
• IUPAC Name: N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole
• SMILES: BrCCBr.C1=CC(c2nccs2)=NC1.C=Cn1ccc(-c2nccs2)n1.C=Cn1nc(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.C=Cn1nc(-c2nccs2)cc1B(O)O.C=Cn1nc(-c2nccs2)cc1B(O)O.O=C(Nc1ccc(Br)s1)c1c(F)cccc1F
• InChI: InChI=1S/C19H12F2N4OS2.C11H6BrF2NOS.2C8H8BN3O2S.C8H7N3S.C7H6N2S.C2H4Br2/c1-2-25-14(10-13(24-25)19-22-8-9-27-19)15-6-7-16(28-15)23-18(26)17-11(20)4-3-5-12(17)21;12-8-4-5-9(17-8)15-11(16)10-6(13)2-1-3-7(10)14;2*1-2-12-7(9(13)14)5-6(11-12)8-10-3-4-15-8;1-2-11-5-3-7(10-11)8-9-4-6-12-8;1-2-6(8-3-1)7-9-4-5-10-7;3-1-2-4/h2-10H,1H2,(H,23,26);1-5H,(H,15,16);2*2-5,13-14H,1H2;2-6H,1H2;1-2,4-5H,3H2;1-2H2
• InChIKey: FZODUKFDRNNVBT-UHFFFAOYSA-N
• XLogP: 14.37
• TPSA: 287.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1690.00
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole?

The IUPAC name of N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole (CID 158189412) is N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole.

What is the SMILES notation for N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole?

The canonical SMILES for N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole is BrCCBr.C1=CC(c2nccs2)=NC1.C=Cn1ccc(-c2nccs2)n1.C=Cn1nc(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.C=Cn1nc(-c2nccs2)cc1B(O)O.C=Cn1nc(-c2nccs2)cc1B(O)O.O=C(Nc1ccc(Br)s1)c1c(F)cccc1F.

What is the InChIKey of N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole?

The InChIKey is FZODUKFDRNNVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4OS2.C11H6BrF2NOS.2C8H8BN3O2S.C8H7N3S.C7H6N2S.C2H4Br2/c1-2-25-14(10-13(24-25)19-22-8-9-27-19)15-6-7-16(28-15)23-18(26)17-11(20)4-3-5-12(17)21;12-8-4-5-9(17-8)15-11(16)10-6(13)2-1-3-7(10)14;2*1-2-12-7(9(13)14)5-6(11-12)8-10-3-4-15-8;1-2-11-5-3-7(10-11)8-9-4-6-12-8;1-2-6(8-3-1)7-9-4-5-10-7;3-1-2-4/h2-10H,1H2,(H,23,26);1-5H,(H,15,16);2*2-5,13-14H,1H2;2-6H,1H2;1-2,4-5H,3H2;1-2H2.

What are the key properties of N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole?

N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole has a molecular weight of 1690.00 g/mol, XLogP of 14.37, 17 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;1,2-dibromoethane;2-(1-ethenylpyrazol-3-yl)-1,3-thiazole;bis([1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);N-[5-[1-ethenyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-2,6-difluorobenzamide;2-(2H-pyrrol-5-yl)-1,3-thiazole is sourced from PubChem (CID 158189412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).