5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine)

C151H95F28N25O10S8 — CID 159792999

About 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine)

5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine) (PubChem CID 159792999) has the molecular formula C151H95F28N25O10S8 and a molecular weight of 3208.07 g/mol. Its IUPAC name is 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine).

Molecular Properties

• Compound Name: 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine)
• PubChem CID: 159792999
• Molecular Formula: C151H95F28N25O10S8
• Molecular Weight: 3208.07 g/mol
• Exact Mass: 3205.50
• IUPAC Name: 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine)
• SMILES: COc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.FC(F)(F)c1cccc(Cc2nc(-c3cccc(/N=N/c4cccc(-c5csc(Nc6cccc(C(F)(F)F)c6)n5)c4)c3)cs2)c1.FC(F)(F)c1cccc(Cc2nc(-c3cccc(/N=N/c4cccc(-c5csc(Nc6cccc(C(F)(F)F)c6)n5)c4)c3)cs2)c1.O=C(O)c1cc(/N=N/c2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c(F)cc2F)ccc1O.O=C(O)c1cc(/N=N/c2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)ccc2F)ccc1O.O=C(O)c1cc(/N=N/c2ccc(F)c(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c2)ccc1O
• InChI: InChI=1S/2C33H21F6N5S2.C23H13F5N4O3S.2C23H14F4N4O3S.C16H12F3N3OS/c2*34-32(35,36)23-8-1-5-20(13-23)14-30-41-28(18-45-30)21-6-2-11-26(15-21)43-44-27-12-3-7-22(16-27)29-19-46-31(42-29)40-25-10-4-9-24(17-25)33(37,38)39;24-16-9-17(25)18(32-31-13-4-5-20(33)15(7-13)21(34)35)8-14(16)19-10-36-22(30-19)29-12-3-1-2-11(6-12)23(26,27)28;24-17-6-4-12(8-18(17)31-30-15-5-7-20(32)16(10-15)21(33)34)19-11-35-22(29-19)28-14-3-1-2-13(9-14)23(25,26)27;24-18-6-4-14(30-31-15-5-7-20(32)17(10-15)21(33)34)9-16(18)19-11-35-22(29-19)28-13-3-1-2-12(8-13)23(25,26)27;1-23-14-7-10(5-6-20-14)13-9-24-15(22-13)21-12-4-2-3-11(8-12)16(17,18)19/h2*1-13,15-19H,14H2,(H,40,42);1-10,33H,(H,29,30)(H,34,35);2*1-11,32H,(H,28,29)(H,33,34);2-9H,1H3,(H,21,22)/b2*44-43+;32-31+;2*31-30+
• InChIKey: NIUQIBMWDKAFPC-HWFDNMHVSA-N
• XLogP: 51.15
• TPSA: 493.61 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3208.07
LogP ≤ 5	51.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine)?

The IUPAC name of 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine) (CID 159792999) is 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine).

What is the SMILES notation for 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine)?

The canonical SMILES for 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine) is COc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.FC(F)(F)c1cccc(Cc2nc(-c3cccc(/N=N/c4cccc(-c5csc(Nc6cccc(C(F)(F)F)c6)n5)c4)c3)cs2)c1.FC(F)(F)c1cccc(Cc2nc(-c3cccc(/N=N/c4cccc(-c5csc(Nc6cccc(C(F)(F)F)c6)n5)c4)c3)cs2)c1.O=C(O)c1cc(/N=N/c2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c(F)cc2F)ccc1O.O=C(O)c1cc(/N=N/c2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)ccc2F)ccc1O.O=C(O)c1cc(/N=N/c2ccc(F)c(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c2)ccc1O.

What is the InChIKey of 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine)?

The InChIKey is NIUQIBMWDKAFPC-HWFDNMHVSA-N. The full InChI is InChI=1S/2C33H21F6N5S2.C23H13F5N4O3S.2C23H14F4N4O3S.C16H12F3N3OS/c2*34-32(35,36)23-8-1-5-20(13-23)14-30-41-28(18-45-30)21-6-2-11-26(15-21)43-44-27-12-3-7-22(16-27)29-19-46-31(42-29)40-25-10-4-9-24(17-25)33(37,38)39;24-16-9-17(25)18(32-31-13-4-5-20(33)15(7-13)21(34)35)8-14(16)19-10-36-22(30-19)29-12-3-1-2-11(6-12)23(26,27)28;24-17-6-4-12(8-18(17)31-30-15-5-7-20(32)16(10-15)21(33)34)19-11-35-22(29-19)28-14-3-1-2-13(9-14)23(25,26)27;24-18-6-4-14(30-31-15-5-7-20(32)17(10-15)21(33)34)9-16(18)19-11-35-22(29-19)28-13-3-1-2-12(8-13)23(25,26)27;1-23-14-7-10(5-6-20-14)13-9-24-15(22-13)21-12-4-2-3-11(8-12)16(17,18)19/h2*1-13,15-19H,14H2,(H,40,42);1-10,33H,(H,29,30)(H,34,35);2*1-11,32H,(H,28,29)(H,33,34);2-9H,1H3,(H,21,22)/b2*44-43+;32-31+;2*31-30+;.

What are the key properties of 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine)?

5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine) has a molecular weight of 3208.07 g/mol, XLogP of 51.15, 38 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;5-[[4-fluoro-3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]-2-hydroxybenzoic acid;4-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;bis(N-[3-(trifluoromethyl)phenyl]-4-[3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]phenyl]-1,3-thiazol-2-amine) is sourced from PubChem (CID 159792999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).