(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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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

C142H148F2N16O11S5 — CID 160740917

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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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-[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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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 (PubChem CID 160740917) has the molecular formula C142H148F2N16O11S5 and a molecular weight of 2453.18 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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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.

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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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
• PubChem CID: 160740917
• Molecular Formula: C142H148F2N16O11S5
• Molecular Weight: 2453.18 g/mol
• Exact Mass: 2451.01
• 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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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
• SMILES: Cc1cccc(-c2ccccc2CCCC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4-c4ccco4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccc(-c5ccccc5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccccc4-c4cccnc4)CC3)n2)S1
• InChI: InChI=1S/C31H33N3O2S.C30H31N3O2S.C29H30N4O2S.C28H28FN3O3S.C24H26FN3O2S/c1-21-6-4-10-25(18-21)27-11-3-2-8-24(27)9-5-7-22-12-14-23(15-13-22)19-29-32-17-16-26(33-29)20-28-30(35)34-31(36)37-28;34-29-27(36-30(35)33-29)20-26-16-17-31-28(32-26)19-23-14-12-21(13-15-23)6-4-7-22-8-5-11-25(18-22)24-9-2-1-3-10-24;34-28-26(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;25-19-10-8-17(9-11-19)3-1-2-16-4-6-18(7-5-16)14-22-26-13-12-20(27-22)15-21-23(29)28-24(30)31-21/h2-4,6,8,10-11,16-18,20,22-23H,5,7,9,12-15,19H2,1H3,(H,34,35,36);1-3,5,8-11,16-18,20-21,23H,4,6-7,12-15,19H2,(H,33,34,35);1-2,4,6,8-9,14-16,18-21H,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);8-13,15-16,18H,1-7,14H2,(H,28,29,30)/b28-20-;27-20-;26-18-;25-17-;21-15-
• InChIKey: RVOJBLCYZSWBGF-BYQSTPGKSA-N
• XLogP: 32.10
• TPSA: 385.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 39
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2453.18
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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?

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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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 (CID 160740917) 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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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.

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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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?

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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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 is Cc1cccc(-c2ccccc2CCCC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4-c4ccco4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccc(-c5ccccc5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccccc4-c4cccnc4)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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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?

The InChIKey is RVOJBLCYZSWBGF-BYQSTPGKSA-N. The full InChI is InChI=1S/C31H33N3O2S.C30H31N3O2S.C29H30N4O2S.C28H28FN3O3S.C24H26FN3O2S/c1-21-6-4-10-25(18-21)27-11-3-2-8-24(27)9-5-7-22-12-14-23(15-13-22)19-29-32-17-16-26(33-29)20-28-30(35)34-31(36)37-28;34-29-27(36-30(35)33-29)20-26-16-17-31-28(32-26)19-23-14-12-21(13-15-23)6-4-7-22-8-5-11-25(18-22)24-9-2-1-3-10-24;34-28-26(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;25-19-10-8-17(9-11-19)3-1-2-16-4-6-18(7-5-16)14-22-26-13-12-20(27-22)15-21-23(29)28-24(30)31-21/h2-4,6,8,10-11,16-18,20,22-23H,5,7,9,12-15,19H2,1H3,(H,34,35,36);1-3,5,8-11,16-18,20-21,23H,4,6-7,12-15,19H2,(H,33,34,35);1-2,4,6,8-9,14-16,18-21H,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);8-13,15-16,18H,1-7,14H2,(H,28,29,30)/b28-20-;27-20-;26-18-;25-17-;21-15-.

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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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-[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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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 has a molecular weight of 2453.18 g/mol, XLogP of 32.10, 39 rotatable bonds, 5 hydrogen bond donors, and 27 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-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]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 is sourced from PubChem (CID 160740917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).