(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C129H133F3N24O10S5 — CID 160865407

About (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 160865407) has the molecular formula C129H133F3N24O10S5 and a molecular weight of 2396.97 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 160865407
• Molecular Formula: C129H133F3N24O10S5
• Molecular Weight: 2396.97 g/mol
• Exact Mass: 2394.92
• IUPAC Name: (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1ccc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc2c1.Cc1ccc2nc(CCCC3(C)CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc2c1.Cn1cnc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc21.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cc(C(F)(F)F)nc5ccccc45)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5c(c4)C=CC5)CC3)n2)S1
• InChI: InChI=1S/C27H29N5O2S.C27H28N4O2S.C26H24F3N5O2S.C25H26N4O2S.C24H26N6O2S/c1-18-5-8-22-19(16-18)6-7-20(29-22)4-3-10-27(2)11-14-32(15-12-27)25-28-13-9-21(30-25)17-23-24(33)31-26(34)35-23;1-18-5-7-22-16-20(6-8-21(22)15-18)4-2-3-19-10-13-31(14-11-19)26-28-12-9-23(29-26)17-24-25(32)30-27(33)34-24;27-26(28,29)22-14-17(19-6-1-2-7-20(19)32-22)5-3-4-16-9-12-34(13-10-16)24-30-11-8-18(31-24)15-21-23(35)33-25(36)37-21;30-23-22(32-25(31)28-23)16-21-9-12-26-24(27-21)29-13-10-17(11-14-29)3-1-4-18-7-8-19-5-2-6-20(19)15-18;1-29-15-26-19-13-17(5-6-20(19)29)4-2-3-16-8-11-30(12-9-16)23-25-10-7-18(27-23)14-21-22(31)28-24(32)33-21/h5-9,13,16-17H,3-4,10-12,14-15H2,1-2H3,(H,31,33,34);5-9,12,15-17,19H,2-4,10-11,13-14H2,1H3,(H,30,32,33);1-2,6-8,11,14-16H,3-5,9-10,12-13H2,(H,33,35,36);2,6-9,12,15-17H,1,3-5,10-11,13-14H2,(H,28,30,31);5-7,10,13-16H,2-4,8-9,11-12H2,1H3,(H,28,31,32)/b23-17-;24-17-;21-15-;22-16-;21-14-
• InChIKey: SLAXLBHMAAXYDF-VFNVGHAOSA-N
• XLogP: 24.93
• TPSA: 419.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2396.97
LogP ≤ 5	24.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

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-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 160865407) is (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc2c1.Cc1ccc2nc(CCCC3(C)CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc2c1.Cn1cnc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc21.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cc(C(F)(F)F)nc5ccccc45)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5c(c4)C=CC5)CC3)n2)S1.

What is the InChIKey of (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is SLAXLBHMAAXYDF-VFNVGHAOSA-N. The full InChI is InChI=1S/C27H29N5O2S.C27H28N4O2S.C26H24F3N5O2S.C25H26N4O2S.C24H26N6O2S/c1-18-5-8-22-19(16-18)6-7-20(29-22)4-3-10-27(2)11-14-32(15-12-27)25-28-13-9-21(30-25)17-23-24(33)31-26(34)35-23;1-18-5-7-22-16-20(6-8-21(22)15-18)4-2-3-19-10-13-31(14-11-19)26-28-12-9-23(29-26)17-24-25(32)30-27(33)34-24;27-26(28,29)22-14-17(19-6-1-2-7-20(19)32-22)5-3-4-16-9-12-34(13-10-16)24-30-11-8-18(31-24)15-21-23(35)33-25(36)37-21;30-23-22(32-25(31)28-23)16-21-9-12-26-24(27-21)29-13-10-17(11-14-29)3-1-4-18-7-8-19-5-2-6-20(19)15-18;1-29-15-26-19-13-17(5-6-20(19)29)4-2-3-16-8-11-30(12-9-16)23-25-10-7-18(27-23)14-21-22(31)28-24(32)33-21/h5-9,13,16-17H,3-4,10-12,14-15H2,1-2H3,(H,31,33,34);5-9,12,15-17,19H,2-4,10-11,13-14H2,1H3,(H,30,32,33);1-2,6-8,11,14-16H,3-5,9-10,12-13H2,(H,33,35,36);2,6-9,12,15-17H,1,3-5,10-11,13-14H2,(H,28,30,31);5-7,10,13-16H,2-4,8-9,11-12H2,1H3,(H,28,31,32)/b23-17-;24-17-;21-15-;22-16-;21-14-.

What are the key properties of (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 2396.97 g/mol, XLogP of 24.93, 30 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-methyl-4-[3-(6-methylquinolin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 160865407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).