(5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C189H200F2N24O15S8 — CID 157457754

IUPAC(5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCCc4ccccc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCCc4ccccn4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4-c4ccco4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc5cc(F)ccc5c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccc5ccccc45)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccccc4-c4cccnc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccnc4-c4ccsc4)CC3)n2)S1
InChIInChI=1S/C29H30N4O2S.C28H28FN3O3S.C28H28FN3O2S.C28H29N3O2S.C27H28N4O2S2.C25H29N3O2S.C24H28N4O2S/c34-28-26(36-29(35)33-28)18-24-14-16-31-27(32-24)17-21-12-10-20(11-13-21)5-3-7-22-6-1-2-9-25(22)23-8-4-15-30-19-23;29-21-11-10-20(23(16-21)24-5-2-14-35-24)4-1-3-18-6-8-19(9-7-18)15-26-30-13-12-22(31-26)17-25-27(33)32-28(34)36-25;29-23-11-10-21-14-19(8-9-22(21)16-23)3-1-2-18-4-6-20(7-5-18)15-26-30-13-12-24(31-26)17-25-27(33)32-28(34)35-25;32-27-25(34-28(33)31-27)18-23-15-16-29-26(30-23)17-20-13-11-19(12-14-20)5-3-7-22-9-4-8-21-6-1-2-10-24(21)22;32-26-23(35-27(33)31-26)16-22-10-13-28-24(30-22)15-19-8-6-18(7-9-19)3-1-4-20-5-2-12-29-25(20)21-11-14-34-17-21;29-24-22(31-25(30)28-24)17-21-14-15-26-23(27-21)16-20-12-10-19(11-13-20)9-5-4-8-18-6-2-1-3-7-18;29-23-21(31-24(30)28-23)16-20-12-14-26-22(27-20)15-18-10-8-17(9-11-18)5-1-2-6-19-7-3-4-13-25-19/h1-2,4,6,8-9,14-16,18-21H,3,5,7,10-13,17H2,(H,33,34,35);2,5,10-14,16-19H,1,3-4,6-9,15H2,(H,32,33,34);8-14,16-18,20H,1-7,15H2,(H,32,33,34);1-2,4,6,8-10,15-16,18-20H,3,5,7,11-14,17H2,(H,31,32,33);2,5,10-14,16-19H,1,3-4,6-9,15H2,(H,31,32,33);1-3,6-7,14-15,17,19-20H,4-5,8-13,16H2,(H,28,29,30);3-4,7,12-14,16-18H,1-2,5-6,8-11,15H2,(H,28,29,30)/b26-18-;2*25-17-;25-18-;23-16-;22-17-;21-16-
InChIKeyBTOHPOIXJPZGFS-UVJQZXPUSA-N
MW3342.36 g/mol
LogP42.41
Rot. Bonds54

About (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 157457754) has the molecular formula C189H200F2N24O15S8 and a molecular weight of 3342.36 g/mol. Its IUPAC name is (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID157457754
Molecular FormulaC189H200F2N24O15S8
Molecular Weight3342.36 g/mol
Exact Mass3339.34
IUPAC Name(5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCCc4ccccc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCCc4ccccn4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4-c4ccco4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc5cc(F)ccc5c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccc5ccccc45)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccccc4-c4cccnc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccnc4-c4ccsc4)CC3)n2)S1
InChIInChI=1S/C29H30N4O2S.C28H28FN3O3S.C28H28FN3O2S.C28H29N3O2S.C27H28N4O2S2.C25H29N3O2S.C24H28N4O2S/c34-28-26(36-29(35)33-28)18-24-14-16-31-27(32-24)17-21-12-10-20(11-13-21)5-3-7-22-6-1-2-9-25(22)23-8-4-15-30-19-23;29-21-11-10-20(23(16-21)24-5-2-14-35-24)4-1-3-18-6-8-19(9-7-18)15-26-30-13-12-22(31-26)17-25-27(33)32-28(34)36-25;29-23-11-10-21-14-19(8-9-22(21)16-23)3-1-2-18-4-6-20(7-5-18)15-26-30-13-12-24(31-26)17-25-27(33)32-28(34)35-25;32-27-25(34-28(33)31-27)18-23-15-16-29-26(30-23)17-20-13-11-19(12-14-20)5-3-7-22-9-4-8-21-6-1-2-10-24(21)22;32-26-23(35-27(33)31-26)16-22-10-13-28-24(30-22)15-19-8-6-18(7-9-19)3-1-4-20-5-2-12-29-25(20)21-11-14-34-17-21;29-24-22(31-25(30)28-24)17-21-14-15-26-23(27-21)16-20-12-10-19(11-13-20)9-5-4-8-18-6-2-1-3-7-18;29-23-21(31-24(30)28-23)16-20-12-14-26-22(27-20)15-18-10-8-17(9-11-18)5-1-2-6-19-7-3-4-13-25-19/h1-2,4,6,8-9,14-16,18-21H,3,5,7,10-13,17H2,(H,33,34,35);2,5,10-14,16-19H,1,3-4,6-9,15H2,(H,32,33,34);8-14,16-18,20H,1-7,15H2,(H,32,33,34);1-2,4,6,8-10,15-16,18-20H,3,5,7,11-14,17H2,(H,31,32,33);2,5,10-14,16-19H,1,3-4,6-9,15H2,(H,31,32,33);1-3,6-7,14-15,17,19-20H,4-5,8-13,16H2,(H,28,29,30);3-4,7,12-14,16-18H,1-2,5-6,8-11,15H2,(H,28,29,30)/b26-18-;2*25-17-;25-18-;23-16-;22-17-;21-16-
InChIKeyBTOHPOIXJPZGFS-UVJQZXPUSA-N
XLogP42.41
TPSA555.46 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds54
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003342.36
LogP ≤ 542.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 157457754) is (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCCc4ccccc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCCc4ccccn4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4-c4ccco4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc5cc(F)ccc5c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccc5ccccc45)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccccc4-c4cccnc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccnc4-c4ccsc4)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BTOHPOIXJPZGFS-UVJQZXPUSA-N. The full InChI is InChI=1S/C29H30N4O2S.C28H28FN3O3S.C28H28FN3O2S.C28H29N3O2S.C27H28N4O2S2.C25H29N3O2S.C24H28N4O2S/c34-28-26(36-29(35)33-28)18-24-14-16-31-27(32-24)17-21-12-10-20(11-13-21)5-3-7-22-6-1-2-9-25(22)23-8-4-15-30-19-23;29-21-11-10-20(23(16-21)24-5-2-14-35-24)4-1-3-18-6-8-19(9-7-18)15-26-30-13-12-22(31-26)17-25-27(33)32-28(34)36-25;29-23-11-10-21-14-19(8-9-22(21)16-23)3-1-2-18-4-6-20(7-5-18)15-26-30-13-12-24(31-26)17-25-27(33)32-28(34)35-25;32-27-25(34-28(33)31-27)18-23-15-16-29-26(30-23)17-20-13-11-19(12-14-20)5-3-7-22-9-4-8-21-6-1-2-10-24(21)22;32-26-23(35-27(33)31-26)16-22-10-13-28-24(30-22)15-19-8-6-18(7-9-19)3-1-4-20-5-2-12-29-25(20)21-11-14-34-17-21;29-24-22(31-25(30)28-24)17-21-14-15-26-23(27-21)16-20-12-10-19(11-13-20)9-5-4-8-18-6-2-1-3-7-18;29-23-21(31-24(30)28-23)16-20-12-14-26-22(27-20)15-18-10-8-17(9-11-18)5-1-2-6-19-7-3-4-13-25-19/h1-2,4,6,8-9,14-16,18-21H,3,5,7,10-13,17H2,(H,33,34,35);2,5,10-14,16-19H,1,3-4,6-9,15H2,(H,32,33,34);8-14,16-18,20H,1-7,15H2,(H,32,33,34);1-2,4,6,8-10,15-16,18-20H,3,5,7,11-14,17H2,(H,31,32,33);2,5,10-14,16-19H,1,3-4,6-9,15H2,(H,31,32,33);1-3,6-7,14-15,17,19-20H,4-5,8-13,16H2,(H,28,29,30);3-4,7,12-14,16-18H,1-2,5-6,8-11,15H2,(H,28,29,30)/b26-18-;2*25-17-;25-18-;23-16-;22-17-;21-16-.
What are the key properties of (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 3342.36 g/mol, XLogP of 42.41, 54 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 157457754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).