(5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione)

C112H133N33O16S7 — CID 158692076

About (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione)

(5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione) (PubChem CID 158692076) has the molecular formula C112H133N33O16S7 and a molecular weight of 2421.98 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione).

Molecular Properties

• Compound Name: (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione)
• PubChem CID: 158692076
• Molecular Formula: C112H133N33O16S7
• Molecular Weight: 2421.98 g/mol
• Exact Mass: 2419.87
• IUPAC Name: (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione)
• SMILES: CC1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CC1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CCC1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CN(C)C1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CN(CC(O)c1ccccc1)c1nccc(/C=C2\SC(=O)NC2=O)n1.CN1CCN(C(=O)C2CCN(c3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)CC1.CN1CCN(C2CCN(c3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)CC1
• InChI: InChI=1S/C19H24N6O3S.C18H24N6O2S.C17H16N4O3S.C15H19N5O2S.C15H18N4O2S.2C14H16N4O2S/c1-23-8-10-24(11-9-23)17(27)13-3-6-25(7-4-13)18-20-5-2-14(21-18)12-15-16(26)22-19(28)29-15;1-22-8-10-23(11-9-22)14-3-6-24(7-4-14)17-19-5-2-13(20-17)12-15-16(25)21-18(26)27-15;1-21(10-13(22)11-5-3-2-4-6-11)16-18-8-7-12(19-16)9-14-15(23)20-17(24)25-14;1-19(2)11-4-7-20(8-5-11)14-16-6-3-10(17-14)9-12-13(21)18-15(22)23-12;1-2-10-4-7-19(8-5-10)14-16-6-3-11(17-14)9-12-13(20)18-15(21)22-12;2*1-9-3-6-18(7-4-9)13-15-5-2-10(16-13)8-11-12(19)17-14(20)21-11/h2,5,12-13H,3-4,6-11H2,1H3,(H,22,26,28);2,5,12,14H,3-4,6-11H2,1H3,(H,21,25,26);2-9,13,22H,10H2,1H3,(H,20,23,24);3,6,9,11H,4-5,7-8H2,1-2H3,(H,18,21,22);3,6,9-10H,2,4-5,7-8H2,1H3,(H,18,20,21);2*2,5,8-9H,3-4,6-7H2,1H3,(H,17,19,20)/b2*15-12-;14-9-;2*12-9-;2*11-8-
• InChIKey: IGMAZQBKDCAOOV-VDDNMXQASA-N
• XLogP: 11.61
• TPSA: 579.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2421.98
LogP ≤ 5	11.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

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-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione)?

The IUPAC name of (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione) (CID 158692076) is (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione).

What is the SMILES notation for (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione)?

The canonical SMILES for (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione) is CC1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CC1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CCC1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CN(C)C1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CN(CC(O)c1ccccc1)c1nccc(/C=C2\SC(=O)NC2=O)n1.CN1CCN(C(=O)C2CCN(c3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)CC1.CN1CCN(C2CCN(c3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)CC1.

What is the InChIKey of (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione)?

The InChIKey is IGMAZQBKDCAOOV-VDDNMXQASA-N. The full InChI is InChI=1S/C19H24N6O3S.C18H24N6O2S.C17H16N4O3S.C15H19N5O2S.C15H18N4O2S.2C14H16N4O2S/c1-23-8-10-24(11-9-23)17(27)13-3-6-25(7-4-13)18-20-5-2-14(21-18)12-15-16(26)22-19(28)29-15;1-22-8-10-23(11-9-22)14-3-6-24(7-4-14)17-19-5-2-13(20-17)12-15-16(25)21-18(26)27-15;1-21(10-13(22)11-5-3-2-4-6-11)16-18-8-7-12(19-16)9-14-15(23)20-17(24)25-14;1-19(2)11-4-7-20(8-5-11)14-16-6-3-10(17-14)9-12-13(21)18-15(22)23-12;1-2-10-4-7-19(8-5-10)14-16-6-3-11(17-14)9-12-13(20)18-15(21)22-12;2*1-9-3-6-18(7-4-9)13-15-5-2-10(16-13)8-11-12(19)17-14(20)21-11/h2,5,12-13H,3-4,6-11H2,1H3,(H,22,26,28);2,5,12,14H,3-4,6-11H2,1H3,(H,21,25,26);2-9,13,22H,10H2,1H3,(H,20,23,24);3,6,9,11H,4-5,7-8H2,1-2H3,(H,18,21,22);3,6,9-10H,2,4-5,7-8H2,1H3,(H,18,20,21);2*2,5,8-9H,3-4,6-7H2,1H3,(H,17,19,20)/b2*15-12-;14-9-;2*12-9-;2*11-8-.

What are the key properties of (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione)?

(5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione) has a molecular weight of 2421.98 g/mol, XLogP of 11.61, 21 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)-methylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;bis((5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione) is sourced from PubChem (CID 158692076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).