4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid

C78H48F14N14O5S4 — CID 158990716

IUPAC4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid
SMILESFc1ccc(/N=N/c2cnc(F)c(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c2)cc1-c1csc(Nc2cccc(C(F)(F)F)c2)n1.O=C(O)c1cc(/N=N/c2cccc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c2)ccc1O.O=C(O)c1cccc(/N=N/c2cccc(-c3csc(Cc4cccc(C(F)(F)F)c4)n3)c2)c1
InChIInChI=1S/C31H17F8N7S2.C24H16F3N3O2S.C23H15F3N4O3S/c32-24-8-7-20(11-22(24)25-14-47-28(43-25)41-18-5-1-3-16(9-18)30(34,35)36)45-46-21-12-23(27(33)40-13-21)26-15-48-29(44-26)42-19-6-2-4-17(10-19)31(37,38)39;25-24(26,27)18-7-1-4-15(10-18)11-22-28-21(14-33-22)16-5-2-8-19(12-16)29-30-20-9-3-6-17(13-20)23(31)32;24-23(25,26)14-4-2-5-15(10-14)27-22-28-19(12-34-22)13-3-1-6-16(9-13)29-30-17-7-8-20(31)18(11-17)21(32)33/h1-15H,(H,41,43)(H,42,44);1-10,12-14H,11H2,(H,31,32);1-12,31H,(H,27,28)(H,32,33)/b46-45+;2*30-29+
InChIKeyJQCZRNGHROMZMN-DKKPODRESA-N
MW1655.57 g/mol
LogP26.47
Rot. Bonds20

About 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid

4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid (PubChem CID 158990716) has the molecular formula C78H48F14N14O5S4 and a molecular weight of 1655.57 g/mol. Its IUPAC name is 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid
PubChem CID158990716
Molecular FormulaC78H48F14N14O5S4
Molecular Weight1655.57 g/mol
Exact Mass1654.26
IUPAC Name4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid
SMILESFc1ccc(/N=N/c2cnc(F)c(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c2)cc1-c1csc(Nc2cccc(C(F)(F)F)c2)n1.O=C(O)c1cc(/N=N/c2cccc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c2)ccc1O.O=C(O)c1cccc(/N=N/c2cccc(-c3csc(Cc4cccc(C(F)(F)F)c4)n3)c2)c1
InChIInChI=1S/C31H17F8N7S2.C24H16F3N3O2S.C23H15F3N4O3S/c32-24-8-7-20(11-22(24)25-14-47-28(43-25)41-18-5-1-3-16(9-18)30(34,35)36)45-46-21-12-23(27(33)40-13-21)26-15-48-29(44-26)42-19-6-2-4-17(10-19)31(37,38)39;25-24(26,27)18-7-1-4-15(10-18)11-22-28-21(14-33-22)16-5-2-8-19(12-16)29-30-20-9-3-6-17(13-20)23(31)32;24-23(25,26)14-4-2-5-15(10-14)27-22-28-19(12-34-22)13-3-1-6-16(9-13)29-30-17-7-8-20(31)18(11-17)21(32)33/h1-15H,(H,41,43)(H,42,44);1-10,12-14H,11H2,(H,31,32);1-12,31H,(H,27,28)(H,32,33)/b46-45+;2*30-29+
InChIKeyJQCZRNGHROMZMN-DKKPODRESA-N
XLogP26.47
TPSA269.53 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001655.57
LogP ≤ 526.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid with MolForge

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Related Compounds

CID 157392684
CID 157392684
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
4-(2-aminophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;1,2-bis[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]hydrazine;3-[[2,4-difluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[2-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzene-1,3-dicarboxylic acid;2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]aniline
CID 162129368

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid?
The IUPAC name of 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid (CID 158990716) is 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid?
The canonical SMILES for 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid is Fc1ccc(/N=N/c2cnc(F)c(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c2)cc1-c1csc(Nc2cccc(C(F)(F)F)c2)n1.O=C(O)c1cc(/N=N/c2cccc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c2)ccc1O.O=C(O)c1cccc(/N=N/c2cccc(-c3csc(Cc4cccc(C(F)(F)F)c4)n3)c2)c1.
What is the InChIKey of 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid?
The InChIKey is JQCZRNGHROMZMN-DKKPODRESA-N. The full InChI is InChI=1S/C31H17F8N7S2.C24H16F3N3O2S.C23H15F3N4O3S/c32-24-8-7-20(11-22(24)25-14-47-28(43-25)41-18-5-1-3-16(9-18)30(34,35)36)45-46-21-12-23(27(33)40-13-21)26-15-48-29(44-26)42-19-6-2-4-17(10-19)31(37,38)39;25-24(26,27)18-7-1-4-15(10-18)11-22-28-21(14-33-22)16-5-2-8-19(12-16)29-30-20-9-3-6-17(13-20)23(31)32;24-23(25,26)14-4-2-5-15(10-14)27-22-28-19(12-34-22)13-3-1-6-16(9-13)29-30-17-7-8-20(31)18(11-17)21(32)33/h1-15H,(H,41,43)(H,42,44);1-10,12-14H,11H2,(H,31,32);1-12,31H,(H,27,28)(H,32,33)/b46-45+;2*30-29+.
What are the key properties of 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid?
4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid has a molecular weight of 1655.57 g/mol, XLogP of 26.47, 20 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-[[6-fluoro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]diazenyl]phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-hydroxy-5-[[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid;3-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 158990716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).