(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C191H219F2N33O21S8 — CID 162158959

IUPAC(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOC(=O)c1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1OC.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1F.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4cccnc4)CC3)n2)S1
InChIInChI=1S/C25H30N4O4S.C25H28N4O4S.C24H27FN4O2S.C24H28N4O3S.2C24H28N4O2S.C23H25FN4O2S.C22H25N5O2S/c1-32-20-8-5-17(13-21(20)33-2)9-11-26-18-6-3-16(4-7-18)14-23-27-12-10-19(28-23)15-22-24(30)29-25(31)34-22;1-33-24(31)18-4-2-3-16(13-18)9-11-26-19-7-5-17(6-8-19)14-22-27-12-10-20(28-22)15-21-23(30)29-25(32)34-21;1-15-3-2-4-17(22(15)25)9-11-26-18-7-5-16(6-8-18)13-21-27-12-10-19(28-21)14-20-23(30)29-24(31)32-20;1-31-20-8-4-16(5-9-20)10-12-25-18-6-2-17(3-7-18)14-22-26-13-11-19(27-22)15-21-23(29)28-24(30)32-21;2*1-16-2-4-17(5-3-16)10-12-25-19-8-6-18(7-9-19)14-22-26-13-11-20(27-22)15-21-23(29)28-24(30)31-21;24-17-5-1-15(2-6-17)9-11-25-18-7-3-16(4-8-18)13-21-26-12-10-19(27-21)14-20-22(29)28-23(30)31-20;28-21-19(30-22(29)27-21)13-18-8-11-25-20(26-18)12-15-3-5-17(6-4-15)24-10-7-16-2-1-9-23-14-16/h5,8,10,12-13,15-16,18,26H,3-4,6-7,9,11,14H2,1-2H3,(H,29,30,31);2-4,10,12-13,15,17,19,26H,5-9,11,14H2,1H3,(H,29,30,32);2-4,10,12,14,16,18,26H,5-9,11,13H2,1H3,(H,29,30,31);4-5,8-9,11,13,15,17-18,25H,2-3,6-7,10,12,14H2,1H3,(H,28,29,30);2*2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30);1-2,5-6,10,12,14,16,18,25H,3-4,7-9,11,13H2,(H,28,29,30);1-2,8-9,11,13-15,17,24H,3-7,10,12H2,(H,27,28,29)/b22-15-;21-15-;20-14-;3*21-15-;20-14-;19-13-
InChIKeyZMFCNKIQVNFMOS-NKLMWQPNSA-N
MW3607.59 g/mol
LogP30.28
Rot. Bonds60

About (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 162158959) has the molecular formula C191H219F2N33O21S8 and a molecular weight of 3607.59 g/mol. Its IUPAC name is (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID162158959
Molecular FormulaC191H219F2N33O21S8
Molecular Weight3607.59 g/mol
Exact Mass3604.48
IUPAC Name(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOC(=O)c1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1OC.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1F.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4cccnc4)CC3)n2)S1
InChIInChI=1S/C25H30N4O4S.C25H28N4O4S.C24H27FN4O2S.C24H28N4O3S.2C24H28N4O2S.C23H25FN4O2S.C22H25N5O2S/c1-32-20-8-5-17(13-21(20)33-2)9-11-26-18-6-3-16(4-7-18)14-23-27-12-10-19(28-23)15-22-24(30)29-25(31)34-22;1-33-24(31)18-4-2-3-16(13-18)9-11-26-19-7-5-17(6-8-19)14-22-27-12-10-20(28-22)15-21-23(30)29-25(32)34-21;1-15-3-2-4-17(22(15)25)9-11-26-18-7-5-16(6-8-18)13-21-27-12-10-19(28-21)14-20-23(30)29-24(31)32-20;1-31-20-8-4-16(5-9-20)10-12-25-18-6-2-17(3-7-18)14-22-26-13-11-19(27-22)15-21-23(29)28-24(30)32-21;2*1-16-2-4-17(5-3-16)10-12-25-19-8-6-18(7-9-19)14-22-26-13-11-20(27-22)15-21-23(29)28-24(30)31-21;24-17-5-1-15(2-6-17)9-11-25-18-7-3-16(4-8-18)13-21-26-12-10-19(27-21)14-20-22(29)28-23(30)31-20;28-21-19(30-22(29)27-21)13-18-8-11-25-20(26-18)12-15-3-5-17(6-4-15)24-10-7-16-2-1-9-23-14-16/h5,8,10,12-13,15-16,18,26H,3-4,6-7,9,11,14H2,1-2H3,(H,29,30,31);2-4,10,12-13,15,17,19,26H,5-9,11,14H2,1H3,(H,29,30,32);2-4,10,12,14,16,18,26H,5-9,11,13H2,1H3,(H,29,30,31);4-5,8-9,11,13,15,17-18,25H,2-3,6-7,10,12,14H2,1H3,(H,28,29,30);2*2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30);1-2,5-6,10,12,14,16,18,25H,3-4,7-9,11,13H2,(H,28,29,30);1-2,8-9,11,13-15,17,24H,3-7,10,12H2,(H,27,28,29)/b22-15-;21-15-;20-14-;3*21-15-;20-14-;19-13-
InChIKeyZMFCNKIQVNFMOS-NKLMWQPNSA-N
XLogP30.28
TPSA738.72 Ų
H-Bond Donors16
H-Bond Acceptors54
Rotatable Bonds60
Heavy Atoms255
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003607.59
LogP ≤ 530.28
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)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-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 162158959) is (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is COC(=O)c1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1OC.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1F.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4cccnc4)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZMFCNKIQVNFMOS-NKLMWQPNSA-N. The full InChI is InChI=1S/C25H30N4O4S.C25H28N4O4S.C24H27FN4O2S.C24H28N4O3S.2C24H28N4O2S.C23H25FN4O2S.C22H25N5O2S/c1-32-20-8-5-17(13-21(20)33-2)9-11-26-18-6-3-16(4-7-18)14-23-27-12-10-19(28-23)15-22-24(30)29-25(31)34-22;1-33-24(31)18-4-2-3-16(13-18)9-11-26-19-7-5-17(6-8-19)14-22-27-12-10-20(28-22)15-21-23(30)29-25(32)34-21;1-15-3-2-4-17(22(15)25)9-11-26-18-7-5-16(6-8-18)13-21-27-12-10-19(28-21)14-20-23(30)29-24(31)32-20;1-31-20-8-4-16(5-9-20)10-12-25-18-6-2-17(3-7-18)14-22-26-13-11-19(27-22)15-21-23(29)28-24(30)32-21;2*1-16-2-4-17(5-3-16)10-12-25-19-8-6-18(7-9-19)14-22-26-13-11-20(27-22)15-21-23(29)28-24(30)31-21;24-17-5-1-15(2-6-17)9-11-25-18-7-3-16(4-8-18)13-21-26-12-10-19(27-21)14-20-22(29)28-23(30)31-20;28-21-19(30-22(29)27-21)13-18-8-11-25-20(26-18)12-15-3-5-17(6-4-15)24-10-7-16-2-1-9-23-14-16/h5,8,10,12-13,15-16,18,26H,3-4,6-7,9,11,14H2,1-2H3,(H,29,30,31);2-4,10,12-13,15,17,19,26H,5-9,11,14H2,1H3,(H,29,30,32);2-4,10,12,14,16,18,26H,5-9,11,13H2,1H3,(H,29,30,31);4-5,8-9,11,13,15,17-18,25H,2-3,6-7,10,12,14H2,1H3,(H,28,29,30);2*2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30);1-2,5-6,10,12,14,16,18,25H,3-4,7-9,11,13H2,(H,28,29,30);1-2,8-9,11,13-15,17,24H,3-7,10,12H2,(H,27,28,29)/b22-15-;21-15-;20-14-;3*21-15-;20-14-;19-13-.
What are the key properties of (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 3607.59 g/mol, XLogP of 30.28, 60 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 162158959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).