(5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione

C102H114N28O15S7 — CID 158652376

About (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 158652376) has the molecular formula C102H114N28O15S7 and a molecular weight of 2196.68 g/mol. Its IUPAC name is (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 158652376
• Molecular Formula: C102H114N28O15S7
• Molecular Weight: 2196.68 g/mol
• Exact Mass: 2194.71
• IUPAC Name: (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: CC1CCCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)C1.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(CC(O)c1ccccc1)c1nccc(/C=C2\SC(=O)NC2=O)n1.CN(c1nccc(/C=C2\SC(=O)NC2=O)n1)C1CCCCC1.O=C1NC(=O)/C(=C/c2ccnc(N3CCCCC3)n2)S1
• InChI: InChI=1S/C17H16N4O3S.2C15H18N4O2S.3C14H16N4O2S.C13H14N4O2S/c1-21(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(11-5-3-2-4-6-11)14-16-8-7-10(17-14)9-12-13(20)18-15(21)22-12;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;1-9-3-2-6-18(8-9)13-15-5-4-10(16-13)7-11-12(19)17-14(20)21-11;18-11-10(20-13(19)16-11)8-9-4-5-14-12(15-9)17-6-2-1-3-7-17/h2-9,13,22H,10H2,1H3,(H,20,23,24);7-9,11H,2-6H2,1H3,(H,18,20,21);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);4-5,7,9H,2-3,6,8H2,1H3,(H,17,19,20);4-5,8H,1-3,6-7H2,(H,16,18,19)/b14-9-;2*12-9-;2*11-8-;11-7-;10-8-
• InChIKey: IBSDUFGWOBCIBV-JKPOUGQYSA-N
• XLogP: 14.87
• TPSA: 546.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 19
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2196.68
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

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-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 158652376) is (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione is CC1CCCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)C1.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(CC(O)c1ccccc1)c1nccc(/C=C2\SC(=O)NC2=O)n1.CN(c1nccc(/C=C2\SC(=O)NC2=O)n1)C1CCCCC1.O=C1NC(=O)/C(=C/c2ccnc(N3CCCCC3)n2)S1.

What is the InChIKey of (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is IBSDUFGWOBCIBV-JKPOUGQYSA-N. The full InChI is InChI=1S/C17H16N4O3S.2C15H18N4O2S.3C14H16N4O2S.C13H14N4O2S/c1-21(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(11-5-3-2-4-6-11)14-16-8-7-10(17-14)9-12-13(20)18-15(21)22-12;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;1-9-3-2-6-18(8-9)13-15-5-4-10(16-13)7-11-12(19)17-14(20)21-11;18-11-10(20-13(19)16-11)8-9-4-5-14-12(15-9)17-6-2-1-3-7-17/h2-9,13,22H,10H2,1H3,(H,20,23,24);7-9,11H,2-6H2,1H3,(H,18,20,21);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);4-5,7,9H,2-3,6,8H2,1H3,(H,17,19,20);4-5,8H,1-3,6-7H2,(H,16,18,19)/b14-9-;2*12-9-;2*11-8-;11-7-;10-8-.

What are the key properties of (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 2196.68 g/mol, XLogP of 14.87, 19 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[cyclohexyl(methyl)amino]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-(3-methylpiperidin-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-piperidin-1-ylpyrimidin-4-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158652376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).