(2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol

C174H159F21N36O13S6 — CID 172959764

IUPAC(2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol
SMILESCC(C)c1cc(F)c(F)cc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.CC(C)c1cc(F)ccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.CC(C)c1ccccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SC(C)C1(C)O.CCCc1ccccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.CCc1ccccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.COc1cc(C)c(N2/C(=N/N=C/c3ccc(-c4ncn(-c5ccc(OC(F)(F)F)cc5)n4)cc3)SCC2(C)O)c(C)c1
InChIInChI=1S/C30H29F3N6O2S.C29H25F5N6O2S.C29H26F4N6O2S.C29H27F3N6O3S.C29H27F3N6O2S.C28H25F3N6O2S/c1-19(2)25-7-5-6-8-26(25)39-28(42-20(3)29(39,4)40)36-35-17-21-9-11-22(12-10-21)27-34-18-38(37-27)23-13-15-24(16-14-23)41-30(31,32)33;1-17(2)22-12-23(30)24(31)13-25(22)40-27(43-15-28(40,3)41)37-36-14-18-4-6-19(7-5-18)26-35-16-39(38-26)20-8-10-21(11-9-20)42-29(32,33)34;1-18(2)24-14-21(30)8-13-25(24)39-27(42-16-28(39,3)40)36-35-15-19-4-6-20(7-5-19)26-34-17-38(37-26)22-9-11-23(12-10-22)41-29(31,32)33;1-18-13-24(40-4)14-19(2)25(18)38-27(42-16-28(38,3)39)35-34-15-20-5-7-21(8-6-20)26-33-17-37(36-26)22-9-11-23(12-10-22)41-29(30,31)32;1-3-6-21-7-4-5-8-25(21)38-27(41-18-28(38,2)39)35-34-17-20-9-11-22(12-10-20)26-33-19-37(36-26)23-13-15-24(16-14-23)40-29(30,31)32;1-3-20-6-4-5-7-24(20)37-26(40-17-27(37,2)38)34-33-16-19-8-10-21(11-9-19)25-32-18-36(35-25)22-12-14-23(15-13-22)39-28(29,30)31/h5-20,40H,1-4H3;4-14,16-17,41H,15H2,1-3H3;4-15,17-18,40H,16H2,1-3H3;5-15,17,39H,16H2,1-4H3;4-5,7-17,19,39H,3,6,18H2,1-2H3;4-16,18,38H,3,17H2,1-2H3/b35-17+,36-28-;36-14+,37-27-;35-15+,36-27-;34-15+,35-27-;34-17+,35-27-;33-16+,34-26-
InChIKeyGTVCVPPIMXCRRM-BLBKBROHSA-N
MW3553.78 g/mol
LogP39.22
Rot. Bonds43

About (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol

(2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol (PubChem CID 172959764) has the molecular formula C174H159F21N36O13S6 and a molecular weight of 3553.78 g/mol. Its IUPAC name is (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name(2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol
PubChem CID172959764
Molecular FormulaC174H159F21N36O13S6
Molecular Weight3553.78 g/mol
Exact Mass3551.09
IUPAC Name(2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol
SMILESCC(C)c1cc(F)c(F)cc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.CC(C)c1cc(F)ccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.CC(C)c1ccccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SC(C)C1(C)O.CCCc1ccccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.CCc1ccccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.COc1cc(C)c(N2/C(=N/N=C/c3ccc(-c4ncn(-c5ccc(OC(F)(F)F)cc5)n4)cc3)SCC2(C)O)c(C)c1
InChIInChI=1S/C30H29F3N6O2S.C29H25F5N6O2S.C29H26F4N6O2S.C29H27F3N6O3S.C29H27F3N6O2S.C28H25F3N6O2S/c1-19(2)25-7-5-6-8-26(25)39-28(42-20(3)29(39,4)40)36-35-17-21-9-11-22(12-10-21)27-34-18-38(37-27)23-13-15-24(16-14-23)41-30(31,32)33;1-17(2)22-12-23(30)24(31)13-25(22)40-27(43-15-28(40,3)41)37-36-14-18-4-6-19(7-5-18)26-35-16-39(38-26)20-8-10-21(11-9-20)42-29(32,33)34;1-18(2)24-14-21(30)8-13-25(24)39-27(42-16-28(39,3)40)36-35-15-19-4-6-20(7-5-19)26-34-17-38(37-26)22-9-11-23(12-10-22)41-29(31,32)33;1-18-13-24(40-4)14-19(2)25(18)38-27(42-16-28(38,3)39)35-34-15-20-5-7-21(8-6-20)26-33-17-37(36-26)22-9-11-23(12-10-22)41-29(30,31)32;1-3-6-21-7-4-5-8-25(21)38-27(41-18-28(38,2)39)35-34-17-20-9-11-22(12-10-20)26-33-19-37(36-26)23-13-15-24(16-14-23)40-29(30,31)32;1-3-20-6-4-5-7-24(20)37-26(40-17-27(37,2)38)34-33-16-19-8-10-21(11-9-19)25-32-18-36(35-25)22-12-14-23(15-13-22)39-28(29,30)31/h5-20,40H,1-4H3;4-14,16-17,41H,15H2,1-3H3;4-15,17-18,40H,16H2,1-3H3;5-15,17,39H,16H2,1-4H3;4-5,7-17,19,39H,3,6,18H2,1-2H3;4-16,18,38H,3,17H2,1-2H3/b35-17+,36-28-;36-14+,37-27-;35-15+,36-27-;34-15+,35-27-;34-17+,35-27-;33-16+,34-26-
InChIKeyGTVCVPPIMXCRRM-BLBKBROHSA-N
XLogP39.22
TPSA538.01 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds43
Heavy Atoms250
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003553.78
LogP ≤ 539.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol?
The IUPAC name of (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol (CID 172959764) is (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol.
What is the SMILES notation for (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol?
The canonical SMILES for (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol is CC(C)c1cc(F)c(F)cc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.CC(C)c1cc(F)ccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.CC(C)c1ccccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SC(C)C1(C)O.CCCc1ccccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.CCc1ccccc1N1/C(=N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)SCC1(C)O.COc1cc(C)c(N2/C(=N/N=C/c3ccc(-c4ncn(-c5ccc(OC(F)(F)F)cc5)n4)cc3)SCC2(C)O)c(C)c1.
What is the InChIKey of (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol?
The InChIKey is GTVCVPPIMXCRRM-BLBKBROHSA-N. The full InChI is InChI=1S/C30H29F3N6O2S.C29H25F5N6O2S.C29H26F4N6O2S.C29H27F3N6O3S.C29H27F3N6O2S.C28H25F3N6O2S/c1-19(2)25-7-5-6-8-26(25)39-28(42-20(3)29(39,4)40)36-35-17-21-9-11-22(12-10-21)27-34-18-38(37-27)23-13-15-24(16-14-23)41-30(31,32)33;1-17(2)22-12-23(30)24(31)13-25(22)40-27(43-15-28(40,3)41)37-36-14-18-4-6-19(7-5-18)26-35-16-39(38-26)20-8-10-21(11-9-20)42-29(32,33)34;1-18(2)24-14-21(30)8-13-25(24)39-27(42-16-28(39,3)40)36-35-15-19-4-6-20(7-5-19)26-34-17-38(37-26)22-9-11-23(12-10-22)41-29(31,32)33;1-18-13-24(40-4)14-19(2)25(18)38-27(42-16-28(38,3)39)35-34-15-20-5-7-21(8-6-20)26-33-17-37(36-26)22-9-11-23(12-10-22)41-29(30,31)32;1-3-6-21-7-4-5-8-25(21)38-27(41-18-28(38,2)39)35-34-17-20-9-11-22(12-10-20)26-33-19-37(36-26)23-13-15-24(16-14-23)40-29(30,31)32;1-3-20-6-4-5-7-24(20)37-26(40-17-27(37,2)38)34-33-16-19-8-10-21(11-9-19)25-32-18-36(35-25)22-12-14-23(15-13-22)39-28(29,30)31/h5-20,40H,1-4H3;4-14,16-17,41H,15H2,1-3H3;4-15,17-18,40H,16H2,1-3H3;5-15,17,39H,16H2,1-4H3;4-5,7-17,19,39H,3,6,18H2,1-2H3;4-16,18,38H,3,17H2,1-2H3/b35-17+,36-28-;36-14+,37-27-;35-15+,36-27-;34-15+,35-27-;34-17+,35-27-;33-16+,34-26-.
What are the key properties of (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol?
(2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol has a molecular weight of 3553.78 g/mol, XLogP of 39.22, 43 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(4,5-difluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4,5-dimethyl-3-(2-propan-2-ylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(2-ethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-fluoro-2-propan-2-ylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-3-(4-methoxy-2,6-dimethylphenyl)-4-methyl-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol;(2Z)-4-methyl-3-(2-propylphenyl)-2-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-ol is sourced from PubChem (CID 172959764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).