2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide

C206H205N51O17S15 — CID 167546083

IUPAC2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESC=C1NC2CS[C@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c3ccc(-c4csc(-n5[nH]c(-c6ccccc6)c(/N=N/c6nccs6)c5=O)n4)cc3)C2N1.CC(=O)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.CCCCCCCCCCCCCCCCCC(=O)NCCCNC(=O)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.CN(C)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.COc1cc(C)cc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)c1.Cc1cnc(/N=N/c2c(-c3ccccc3)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)s1.O=C(NCCN1CCCCC1)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1
InChIInChI=1S/C43H52N10O6S3.C43H56N8O3S2.C29H28N8O2S2.C23H19N7OS2.C23H18N6O2S2.C23H16N6O2S2.C22H16N6OS2/c1-29-47-34-28-61-35(38(34)48-29)11-5-6-12-36(54)44-17-7-20-57-22-24-59-25-23-58-21-8-18-45-40(55)32-15-13-30(14-16-32)33-27-62-43(49-33)53-41(56)39(50-51-42-46-19-26-60-42)37(52-53)31-9-3-2-4-10-31;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-37(52)44-28-20-29-45-40(53)35-26-24-33(25-27-35)36-32-56-43(47-36)51-41(54)39(48-49-42-46-30-31-55-42)38(50-51)34-21-17-16-18-22-34;38-26(30-13-17-36-15-5-2-6-16-36)22-11-9-20(10-12-22)23-19-41-29(32-23)37-27(39)25(33-34-28-31-14-18-40-28)24(35-37)21-7-3-1-4-8-21;1-29(2)17-10-8-15(9-11-17)18-14-33-23(25-18)30-21(31)20(26-27-22-24-12-13-32-22)19(28-30)16-6-4-3-5-7-16;1-14-10-16(12-17(11-14)31-2)18-13-33-23(25-18)29-21(30)20(26-27-22-24-8-9-32-22)19(28-29)15-6-4-3-5-7-15;1-14(30)15-7-9-16(10-8-15)18-13-33-23(25-18)29-21(31)20(26-27-22-24-11-12-32-22)19(28-29)17-5-3-2-4-6-17;1-14-12-23-21(31-14)26-25-19-18(16-10-6-3-7-11-16)27-28(20(19)29)22-24-17(13-30-22)15-8-4-2-5-9-15/h2-4,9-10,13-16,19,26-27,34-35,38,47-48,52H,1,5-8,11-12,17-18,20-25,28H2,(H,44,54)(H,45,55);16-18,21-22,24-27,30-32,50H,2-15,19-20,23,28-29H2,1H3,(H,44,52)(H,45,53);1,3-4,7-12,14,18-19,35H,2,5-6,13,15-17H2,(H,30,38);3-14,28H,1-2H3;3-13,28H,1-2H3;2-13,28H,1H3;2-13,27H,1H3/b51-50+;49-48+;34-33+;3*27-26+;26-25+/t34?,35-,38?;;;;;;/m1....../s1
InChIKeyLVBFVBSJEUSREF-QLGVXQQOSA-N
MW4148.25 g/mol
LogP48.16
Rot. Bonds83

About 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide

2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 167546083) has the molecular formula C206H205N51O17S15 and a molecular weight of 4148.25 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID167546083
Molecular FormulaC206H205N51O17S15
Molecular Weight4148.25 g/mol
Exact Mass4144.26
IUPAC Name2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESC=C1NC2CS[C@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c3ccc(-c4csc(-n5[nH]c(-c6ccccc6)c(/N=N/c6nccs6)c5=O)n4)cc3)C2N1.CC(=O)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.CCCCCCCCCCCCCCCCCC(=O)NCCCNC(=O)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.CN(C)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.COc1cc(C)cc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)c1.Cc1cnc(/N=N/c2c(-c3ccccc3)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)s1.O=C(NCCN1CCCCC1)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1
InChIInChI=1S/C43H52N10O6S3.C43H56N8O3S2.C29H28N8O2S2.C23H19N7OS2.C23H18N6O2S2.C23H16N6O2S2.C22H16N6OS2/c1-29-47-34-28-61-35(38(34)48-29)11-5-6-12-36(54)44-17-7-20-57-22-24-59-25-23-58-21-8-18-45-40(55)32-15-13-30(14-16-32)33-27-62-43(49-33)53-41(56)39(50-51-42-46-19-26-60-42)37(52-53)31-9-3-2-4-10-31;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-37(52)44-28-20-29-45-40(53)35-26-24-33(25-27-35)36-32-56-43(47-36)51-41(54)39(48-49-42-46-30-31-55-42)38(50-51)34-21-17-16-18-22-34;38-26(30-13-17-36-15-5-2-6-16-36)22-11-9-20(10-12-22)23-19-41-29(32-23)37-27(39)25(33-34-28-31-14-18-40-28)24(35-37)21-7-3-1-4-8-21;1-29(2)17-10-8-15(9-11-17)18-14-33-23(25-18)30-21(31)20(26-27-22-24-12-13-32-22)19(28-30)16-6-4-3-5-7-16;1-14-10-16(12-17(11-14)31-2)18-13-33-23(25-18)29-21(30)20(26-27-22-24-8-9-32-22)19(28-29)15-6-4-3-5-7-15;1-14(30)15-7-9-16(10-8-15)18-13-33-23(25-18)29-21(31)20(26-27-22-24-11-12-32-22)19(28-29)17-5-3-2-4-6-17;1-14-12-23-21(31-14)26-25-19-18(16-10-6-3-7-11-16)27-28(20(19)29)22-24-17(13-30-22)15-8-4-2-5-9-15/h2-4,9-10,13-16,19,26-27,34-35,38,47-48,52H,1,5-8,11-12,17-18,20-25,28H2,(H,44,54)(H,45,55);16-18,21-22,24-27,30-32,50H,2-15,19-20,23,28-29H2,1H3,(H,44,52)(H,45,53);1,3-4,7-12,14,18-19,35H,2,5-6,13,15-17H2,(H,30,38);3-14,28H,1-2H3;3-13,28H,1-2H3;2-13,28H,1H3;2-13,27H,1H3/b51-50+;49-48+;34-33+;3*27-26+;26-25+/t34?,35-,38?;;;;;;/m1....../s1
InChIKeyLVBFVBSJEUSREF-QLGVXQQOSA-N
XLogP48.16
TPSA848.06 Ų
H-Bond Donors14
H-Bond Acceptors71
Rotatable Bonds83
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004148.25
LogP ≤ 548.16
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1071

Analyze 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide with MolForge

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Related Compounds

4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one
CID 158767113
2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;1-[4-[2-[2-hydroxy-4-phenyl-3-(1,3-thiazol-2-yldiazenyl)pyrrol-1-yl]-1,3-thiazol-4-yl]phenyl]tetracosane-1,7-dione;methane;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzoic acid;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 160474262
4-[(5-fluoro-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;methyl 4-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)diazenyl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]-5-propan-2-yl-1,3-thiazole-4-carboxylate;9-[[4-oxo-8-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)octyl]disulfanyl]-1-[4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]nonane-1,7-dione;5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yldiazenyl)-1H-pyrazol-3-one;N,N,5-trimethyl-2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]-1,3-thiazole-4-carboxamide
CID 162084330
5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate)
CID 167588562

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide (CID 167546083) is 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide is C=C1NC2CS[C@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)c3ccc(-c4csc(-n5[nH]c(-c6ccccc6)c(/N=N/c6nccs6)c5=O)n4)cc3)C2N1.CC(=O)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.CCCCCCCCCCCCCCCCCC(=O)NCCCNC(=O)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.CN(C)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.COc1cc(C)cc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)c1.Cc1cnc(/N=N/c2c(-c3ccccc3)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)s1.O=C(NCCN1CCCCC1)c1ccc(-c2csc(-n3[nH]c(-c4ccccc4)c(/N=N/c4nccs4)c3=O)n2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is LVBFVBSJEUSREF-QLGVXQQOSA-N. The full InChI is InChI=1S/C43H52N10O6S3.C43H56N8O3S2.C29H28N8O2S2.C23H19N7OS2.C23H18N6O2S2.C23H16N6O2S2.C22H16N6OS2/c1-29-47-34-28-61-35(38(34)48-29)11-5-6-12-36(54)44-17-7-20-57-22-24-59-25-23-58-21-8-18-45-40(55)32-15-13-30(14-16-32)33-27-62-43(49-33)53-41(56)39(50-51-42-46-19-26-60-42)37(52-53)31-9-3-2-4-10-31;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-37(52)44-28-20-29-45-40(53)35-26-24-33(25-27-35)36-32-56-43(47-36)51-41(54)39(48-49-42-46-30-31-55-42)38(50-51)34-21-17-16-18-22-34;38-26(30-13-17-36-15-5-2-6-16-36)22-11-9-20(10-12-22)23-19-41-29(32-23)37-27(39)25(33-34-28-31-14-18-40-28)24(35-37)21-7-3-1-4-8-21;1-29(2)17-10-8-15(9-11-17)18-14-33-23(25-18)30-21(31)20(26-27-22-24-12-13-32-22)19(28-30)16-6-4-3-5-7-16;1-14-10-16(12-17(11-14)31-2)18-13-33-23(25-18)29-21(30)20(26-27-22-24-8-9-32-22)19(28-29)15-6-4-3-5-7-15;1-14(30)15-7-9-16(10-8-15)18-13-33-23(25-18)29-21(31)20(26-27-22-24-11-12-32-22)19(28-29)17-5-3-2-4-6-17;1-14-12-23-21(31-14)26-25-19-18(16-10-6-3-7-11-16)27-28(20(19)29)22-24-17(13-30-22)15-8-4-2-5-9-15/h2-4,9-10,13-16,19,26-27,34-35,38,47-48,52H,1,5-8,11-12,17-18,20-25,28H2,(H,44,54)(H,45,55);16-18,21-22,24-27,30-32,50H,2-15,19-20,23,28-29H2,1H3,(H,44,52)(H,45,53);1,3-4,7-12,14,18-19,35H,2,5-6,13,15-17H2,(H,30,38);3-14,28H,1-2H3;3-13,28H,1-2H3;2-13,28H,1H3;2-13,27H,1H3/b51-50+;49-48+;34-33+;3*27-26+;26-25+/t34?,35-,38?;;;;;;/m1....../s1.
What are the key properties of 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide?
2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 4148.25 g/mol, XLogP of 48.16, 83 rotatable bonds, 14 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;2-[4-(3-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-3-one;N-[3-[2-[2-[3-[5-[(4R)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[3-(octadecanoylamino)propyl]-4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzamide;4-[2-[3-oxo-5-phenyl-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 167546083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).