(5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C119H119N33O14S6 — CID 158285126

About (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 158285126) has the molecular formula C119H119N33O14S6 and a molecular weight of 2427.88 g/mol. Its IUPAC name is (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 158285126
• Molecular Formula: C119H119N33O14S6
• Molecular Weight: 2427.88 g/mol
• Exact Mass: 2425.79
• IUPAC Name: (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: C=c1[nH]c(=O)/c(=C/c2ccnc(N3CCCC(CC4=Nc5ccccc5C4)C3)n2)s1.CC(=O)C1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CCc1noc(C2CCCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)C2)n1.Cc1cccc(Nc2ccnc3c2CC(Nc2nccc(/C=C4\SC(=O)NC4=O)n2)CC3)c1.Nc1nc(N)nc(C2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)n1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC4(CC3)C(=O)CCN4c3ccccc3)n2)S1
• InChI: InChI=1S/C24H22N6O2S.C23H23N5OS.C22H21N5O3S.C18H19N5O3S.C17H18N8O2S.C15H16N4O3S/c1-14-3-2-4-15(11-14)27-20-8-10-25-19-6-5-16(12-18(19)20)28-23-26-9-7-17(29-23)13-21-22(31)30-24(32)33-21;1-15-25-22(29)21(30-15)13-18-8-9-24-23(27-18)28-10-4-5-16(14-28)11-19-12-17-6-2-3-7-20(17)26-19;28-18-7-11-27(16-4-2-1-3-5-16)22(18)8-12-26(13-9-22)20-23-10-6-15(24-20)14-17-19(29)25-21(30)31-17;1-2-15-21-17(26-22-15)11-4-3-7-23(10-11)18-19-6-5-12(20-18)8-14-13(24)9-16(25)27-14;18-15-22-14(23-16(19)24-15)9-2-5-25(6-3-9)17-20-4-1-10(21-17)7-12-11(26)8-13(27)28-12;1-9(20)10-3-6-19(7-4-10)14-16-5-2-11(17-14)8-12-13(21)18-15(22)23-12/h2-4,7-11,13,16H,5-6,12H2,1H3,(H,25,27)(H,26,28,29)(H,30,31,32);2-3,6-9,13,16H,1,4-5,10-12,14H2,(H,25,29);1-6,10,14H,7-9,11-13H2,(H,25,29,30);5-6,8,11H,2-4,7,9-10H2,1H3;1,4,7,9H,2-3,5-6,8H2,(H4,18,19,22,23,24);2,5,8,10H,3-4,6-7H2,1H3,(H,18,21,22)/b2*21-13-;17-14-;14-8-;12-7-;12-8-
• InChIKey: GKRMVOYPMKSSCO-OXAFMQJJSA-N
• XLogP: 14.01
• TPSA: 626.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 49
• Rotatable Bonds: 22
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2427.88
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', '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-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 158285126) is (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is C=c1[nH]c(=O)/c(=C/c2ccnc(N3CCCC(CC4=Nc5ccccc5C4)C3)n2)s1.CC(=O)C1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.CCc1noc(C2CCCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)C2)n1.Cc1cccc(Nc2ccnc3c2CC(Nc2nccc(/C=C4\SC(=O)NC4=O)n2)CC3)c1.Nc1nc(N)nc(C2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)n1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC4(CC3)C(=O)CCN4c3ccccc3)n2)S1.

What is the InChIKey of (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is GKRMVOYPMKSSCO-OXAFMQJJSA-N. The full InChI is InChI=1S/C24H22N6O2S.C23H23N5OS.C22H21N5O3S.C18H19N5O3S.C17H18N8O2S.C15H16N4O3S/c1-14-3-2-4-15(11-14)27-20-8-10-25-19-6-5-16(12-18(19)20)28-23-26-9-7-17(29-23)13-21-22(31)30-24(32)33-21;1-15-25-22(29)21(30-15)13-18-8-9-24-23(27-18)28-10-4-5-16(14-28)11-19-12-17-6-2-3-7-20(17)26-19;28-18-7-11-27(16-4-2-1-3-5-16)22(18)8-12-26(13-9-22)20-23-10-6-15(24-20)14-17-19(29)25-21(30)31-17;1-2-15-21-17(26-22-15)11-4-3-7-23(10-11)18-19-6-5-12(20-18)8-14-13(24)9-16(25)27-14;18-15-22-14(23-16(19)24-15)9-2-5-25(6-3-9)17-20-4-1-10(21-17)7-12-11(26)8-13(27)28-12;1-9(20)10-3-6-19(7-4-10)14-16-5-2-11(17-14)8-12-13(21)18-15(22)23-12/h2-4,7-11,13,16H,5-6,12H2,1H3,(H,25,27)(H,26,28,29)(H,30,31,32);2-3,6-9,13,16H,1,4-5,10-12,14H2,(H,25,29);1-6,10,14H,7-9,11-13H2,(H,25,29,30);5-6,8,11H,2-4,7,9-10H2,1H3;1,4,7,9H,2-3,5-6,8H2,(H4,18,19,22,23,24);2,5,8,10H,3-4,6-7H2,1H3,(H,18,21,22)/b2*21-13-;17-14-;14-8-;12-7-;12-8-.

What are the key properties of (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 2427.88 g/mol, XLogP of 14.01, 22 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-(4-acetylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(3H-indol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[[4-(3-methylanilino)-5,6,7,8-tetrahydroquinolin-6-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-oxo-1-phenyl-1,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158285126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).