N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole

C79H64B2Br4ClF8N15O10S8 — CID 158531226

About N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole

N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole (PubChem CID 158531226) has the molecular formula C79H64B2Br4ClF8N15O10S8 and a molecular weight of 2168.69 g/mol. Its IUPAC name is N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole
• PubChem CID: 158531226
• Molecular Formula: C79H64B2Br4ClF8N15O10S8
• Molecular Weight: 2168.69 g/mol
• Exact Mass: 2162.92
• IUPAC Name: N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole
• SMILES: C1=CC(c2nccs2)=NC1.CC(=O)N(C(=O)c1c(F)cccc1F)c1ccc(Br)s1.CC(=O)Nc1ccc(Br)s1.CCn1ccc(-c2nccs2)n1.CCn1nc(-c2nccs2)cc1B(O)O.CCn1nc(-c2nccs2)cc1B(O)O.O=C(Cl)c1c(F)cccc1F.O=C(Nc1ccc(Br)s1)c1c(F)cccc1F.O=C(Nc1ccc(Br)s1)c1c(F)cccc1F
• InChI: InChI=1S/C13H8BrF2NO2S.2C11H6BrF2NOS.2C8H10BN3O2S.C8H9N3S.C7H3ClF2O.C7H6N2S.C6H6BrNOS/c1-7(18)17(11-6-5-10(14)20-11)13(19)12-8(15)3-2-4-9(12)16;2*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;8-7(11)6-4(9)2-1-3-5(6)10;1-2-6(8-3-1)7-9-4-5-10-7;1-4(9)8-6-3-2-5(7)10-6/h2-6H,1H3;2*1-5H,(H,15,16);2*3-5,13-14H,2H2,1H3;3-6H,2H2,1H3;1-3H;1-2,4-5H,3H2;2-3H,1H3,(H,8,9)
• InChIKey: HNJXADDLGVROJJ-UHFFFAOYSA-N
• XLogP: 19.82
• TPSA: 340.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.69
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

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 N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole?

The IUPAC name of N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole (CID 158531226) is N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole.

What is the SMILES notation for N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole?

The canonical SMILES for N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole is C1=CC(c2nccs2)=NC1.CC(=O)N(C(=O)c1c(F)cccc1F)c1ccc(Br)s1.CC(=O)Nc1ccc(Br)s1.CCn1ccc(-c2nccs2)n1.CCn1nc(-c2nccs2)cc1B(O)O.CCn1nc(-c2nccs2)cc1B(O)O.O=C(Cl)c1c(F)cccc1F.O=C(Nc1ccc(Br)s1)c1c(F)cccc1F.O=C(Nc1ccc(Br)s1)c1c(F)cccc1F.

What is the InChIKey of N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole?

The InChIKey is HNJXADDLGVROJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO2S.2C11H6BrF2NOS.2C8H10BN3O2S.C8H9N3S.C7H3ClF2O.C7H6N2S.C6H6BrNOS/c1-7(18)17(11-6-5-10(14)20-11)13(19)12-8(15)3-2-4-9(12)16;2*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;8-7(11)6-4(9)2-1-3-5(6)10;1-2-6(8-3-1)7-9-4-5-10-7;1-4(9)8-6-3-2-5(7)10-6/h2-6H,1H3;2*1-5H,(H,15,16);2*3-5,13-14H,2H2,1H3;3-6H,2H2,1H3;1-3H;1-2,4-5H,3H2;2-3H,1H3,(H,8,9).

What are the key properties of N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole?

N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole has a molecular weight of 2168.69 g/mol, XLogP of 19.82, 17 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide;N-(5-bromothiophen-2-yl)acetamide;bis(N-(5-bromothiophen-2-yl)-2,6-difluorobenzamide);2,6-difluorobenzoyl chloride;2-(1-ethylpyrazol-3-yl)-1,3-thiazole;bis([1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid);2-(2H-pyrrol-5-yl)-1,3-thiazole is sourced from PubChem (CID 158531226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).