[4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid)

C₉₄H₈₆F₁₉N₁₇O₂₀S₉ — CID 159419525

About [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid)

[4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 159419525) has the molecular formula C₉₄H₈₆F₁₉N₁₇O₂₀S₉ and a molecular weight of 2423.39 g/mol. Its IUPAC name is [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 159419525
• Molecular Formula: C₉₄H₈₆F₁₉N₁₇O₂₀S₉
• Molecular Weight: 2423.39 g/mol
• Exact Mass: 2421.34
• IUPAC Name: [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid)
• SMILES: Nc1nc(NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)sc1C(=O)c1cccc(F)c1.Nc1nc(NC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)sc1C(=O)c1cccc(F)c1.Nc1nc(NC2CCN(S(=O)(=O)c3ccccc3)CC2)sc1C(=O)c1cccc(F)c1.Nc1nc(NC2CCN(S(=O)(=O)c3cccs3)CC2)sc1C(=O)c1cccc(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H22FN5O3S2.C22H20F4N4O3S2.C21H21FN4O3S2.C19H19FN4O3S3.4C2HF3O2/c25-17-7-1-5-16(14-17)21(31)22-23(26)29-24(34-22)28-18-9-12-30(13-10-18)35(32,33)19-8-2-4-15-6-3-11-27-20(15)19;23-15-5-1-3-13(11-15)18(31)19-20(27)29-21(34-19)28-16-7-9-30(10-8-16)35(32,33)17-6-2-4-14(12-17)22(24,25)26;22-15-6-4-5-14(13-15)18(27)19-20(23)25-21(30-19)24-16-9-11-26(12-10-16)31(28,29)17-7-2-1-3-8-17;20-13-4-1-3-12(11-13)16(25)17-18(21)23-19(29-17)22-14-6-8-24(9-7-14)30(26,27)15-5-2-10-28-15;4*3-2(4,5)1(6)7/h1-8,11,14,18H,9-10,12-13,26H2,(H,28,29);1-6,11-12,16H,7-10,27H2,(H,28,29);1-8,13,16H,9-12,23H2,(H,24,25);1-5,10-11,14H,6-9,21H2,(H,22,23);4*(H,6,7)
• InChIKey: OCNIHQVMQZXUAU-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 583.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.39
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid) (CID 159419525) is [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid) is Nc1nc(NC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)sc1C(=O)c1cccc(F)c1.Nc1nc(NC2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)sc1C(=O)c1cccc(F)c1.Nc1nc(NC2CCN(S(=O)(=O)c3ccccc3)CC2)sc1C(=O)c1cccc(F)c1.Nc1nc(NC2CCN(S(=O)(=O)c3cccs3)CC2)sc1C(=O)c1cccc(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid)?

The InChIKey is OCNIHQVMQZXUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S2.C22H20F4N4O3S2.C21H21FN4O3S2.C19H19FN4O3S3.4C2HF3O2/c25-17-7-1-5-16(14-17)21(31)22-23(26)29-24(34-22)28-18-9-12-30(13-10-18)35(32,33)19-8-2-4-15-6-3-11-27-20(15)19;23-15-5-1-3-13(11-15)18(31)19-20(27)29-21(34-19)28-16-7-9-30(10-8-16)35(32,33)17-6-2-4-14(12-17)22(24,25)26;22-15-6-4-5-14(13-15)18(27)19-20(23)25-21(30-19)24-16-9-11-26(12-10-16)31(28,29)17-7-2-1-3-8-17;20-13-4-1-3-12(11-13)16(25)17-18(21)23-19(29-17)22-14-6-8-24(9-7-14)30(26,27)15-5-2-10-28-15;4*3-2(4,5)1(6)7/h1-8,11,14,18H,9-10,12-13,26H2,(H,28,29);1-6,11-12,16H,7-10,27H2,(H,28,29);1-8,13,16H,9-12,23H2,(H,24,25);1-5,10-11,14H,6-9,21H2,(H,22,23);4*(H,6,7).

What are the key properties of [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid)?

[4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2423.39 g/mol, XLogP of 17.60, 24 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;[4-amino-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]amino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159419525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159419525 — identifiers, structure, computed properties (public domain)

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