(5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C98H107N25O10S4 — CID 157105002

About (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

(5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 157105002) has the molecular formula C98H107N25O10S4 and a molecular weight of 1923.37 g/mol. Its IUPAC name is (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
• PubChem CID: 157105002
• Molecular Formula: C98H107N25O10S4
• Molecular Weight: 1923.37 g/mol
• Exact Mass: 1921.75
• IUPAC Name: (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
• SMILES: COCCN(C)c1cc(/C=C2\SC(=O)NC2=O)nc(N2CCN(c3ccc(C)cc3)CC2)n1.Cc1ccc(N2CCN(c3nc(/C=C4\SC(=O)NC4=O)cc(N(C)CCc4ccccn4)n3)CC2)cc1.Cc1ccc(N2CCN(c3nc(/C=C4\SC(=O)NC4=O)cc(N(C)Cc4ccccc4)n3)CC2)cc1.Cc1ccc(N2CCN(c3nccc(/C=C4\SC(=O)N(CC(N)=O)C4=O)n3)CC2)cc1
• InChI: InChI=1S/C27H29N7O2S.C27H28N6O2S.C23H28N6O3S.C21H22N6O3S/c1-19-6-8-22(9-7-19)33-13-15-34(16-14-33)26-29-21(17-23-25(35)31-27(36)37-23)18-24(30-26)32(2)12-10-20-5-3-4-11-28-20;1-19-8-10-22(11-9-19)32-12-14-33(15-13-32)26-28-21(16-23-25(34)30-27(35)36-23)17-24(29-26)31(2)18-20-6-4-3-5-7-20;1-16-4-6-18(7-5-16)28-8-10-29(11-9-28)22-24-17(14-19-21(30)26-23(31)33-19)15-20(25-22)27(2)12-13-32-3;1-14-2-4-16(5-3-14)25-8-10-26(11-9-25)20-23-7-6-15(24-20)12-17-19(29)27(13-18(22)28)21(30)31-17/h3-9,11,17-18H,10,12-16H2,1-2H3,(H,31,35,36);3-11,16-17H,12-15,18H2,1-2H3,(H,30,34,35);4-7,14-15H,8-13H2,1-3H3,(H,26,30,31);2-7,12H,8-11,13H2,1H3,(H2,22,28)/b23-17-;23-16-;19-14-;17-12-
• InChIKey: AGEUQGGRTSNELZ-WAEJEHOKSA-N
• XLogP: 11.73
• TPSA: 379.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.37
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

The IUPAC name of (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 157105002) is (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

What is the SMILES notation for (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

The canonical SMILES for (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is COCCN(C)c1cc(/C=C2\SC(=O)NC2=O)nc(N2CCN(c3ccc(C)cc3)CC2)n1.Cc1ccc(N2CCN(c3nc(/C=C4\SC(=O)NC4=O)cc(N(C)CCc4ccccn4)n3)CC2)cc1.Cc1ccc(N2CCN(c3nc(/C=C4\SC(=O)NC4=O)cc(N(C)Cc4ccccc4)n3)CC2)cc1.Cc1ccc(N2CCN(c3nccc(/C=C4\SC(=O)N(CC(N)=O)C4=O)n3)CC2)cc1.

What is the InChIKey of (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

The InChIKey is AGEUQGGRTSNELZ-WAEJEHOKSA-N. The full InChI is InChI=1S/C27H29N7O2S.C27H28N6O2S.C23H28N6O3S.C21H22N6O3S/c1-19-6-8-22(9-7-19)33-13-15-34(16-14-33)26-29-21(17-23-25(35)31-27(36)37-23)18-24(30-26)32(2)12-10-20-5-3-4-11-28-20;1-19-8-10-22(11-9-19)32-12-14-33(15-13-32)26-28-21(16-23-25(34)30-27(35)36-23)17-24(29-26)31(2)18-20-6-4-3-5-7-20;1-16-4-6-18(7-5-16)28-8-10-29(11-9-28)22-24-17(14-19-21(30)26-23(31)33-19)15-20(25-22)27(2)12-13-32-3;1-14-2-4-16(5-3-14)25-8-10-26(11-9-25)20-23-7-6-15(24-20)12-17-19(29)27(13-18(22)28)21(30)31-17/h3-9,11,17-18H,10,12-16H2,1-2H3,(H,31,35,36);3-11,16-17H,12-15,18H2,1-2H3,(H,30,34,35);4-7,14-15H,8-13H2,1-3H3,(H,26,30,31);2-7,12H,8-11,13H2,1H3,(H2,22,28)/b23-17-;23-16-;19-14-;17-12-.

What are the key properties of (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

(5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 1923.37 g/mol, XLogP of 11.73, 25 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[6-[benzyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-[2-methoxyethyl(methyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]-6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;2-[(5Z)-5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 157105002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).