5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C112H125N29O19S6 — CID 159732387

About 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 159732387) has the molecular formula C112H125N29O19S6 and a molecular weight of 2373.82 g/mol. Its IUPAC name is 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 159732387
• Molecular Formula: C112H125N29O19S6
• Molecular Weight: 2373.82 g/mol
• Exact Mass: 2371.80
• IUPAC Name: 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: CN1C(=O)SC(=Cc2ccnc(N3CCC(CC(=O)OC(C)(C)C)CC3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCC(N)CC3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCCC(CCC(=O)OC(C)(C)C)C3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCN(c4ccncc4)CC3)n2)C1=O.O=C1NC(=O)/C(=C/c2ccnc(N3CC(=O)N(Cc4ccccc4)[C@@H](CO)C3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCN(C(=O)c4ccccc4)CC3)n2)S1
• InChI: InChI=1S/C21H28N4O4S.C20H19N5O4S.C20H26N4O4S.C19H17N5O3S.C18H18N6O2S.C14H17N5O2S/c1-21(2,3)29-17(26)8-7-14-6-5-11-25(13-14)19-22-10-9-15(23-19)12-16-18(27)24(4)20(28)30-16;26-12-15-10-24(11-17(27)25(15)9-13-4-2-1-3-5-13)19-21-7-6-14(22-19)8-16-18(28)23-20(29)30-16;1-20(2,3)28-16(25)11-13-6-9-24(10-7-13)18-21-8-5-14(22-18)12-15-17(26)23(4)19(27)29-15;25-16-15(28-19(27)22-16)12-14-6-7-20-18(21-14)24-10-8-23(9-11-24)17(26)13-4-2-1-3-5-13;1-22-16(25)15(27-18(22)26)12-13-2-7-20-17(21-13)24-10-8-23(9-11-24)14-3-5-19-6-4-14;1-18-12(20)11(22-14(18)21)8-10-2-5-16-13(17-10)19-6-3-9(15)4-7-19/h9-10,12,14H,5-8,11,13H2,1-4H3;1-8,15,26H,9-12H2,(H,23,28,29);5,8,12-13H,6-7,9-11H2,1-4H3;1-7,12H,8-11H2,(H,22,25,27);2-7,12H,8-11H2,1H3;2,5,8-9H,3-4,6-7,15H2,1H3/b;16-8-;;15-12-;;/t;15-;;;;/m.1..../s1
• InChIKey: NBJUPVPCRGXUKK-POCDEZGKSA-N
• XLogP: 12.28
• TPSA: 571.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 46
• Rotatable Bonds: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2373.82
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	46

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 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 159732387) is 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is CN1C(=O)SC(=Cc2ccnc(N3CCC(CC(=O)OC(C)(C)C)CC3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCC(N)CC3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCCC(CCC(=O)OC(C)(C)C)C3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCN(c4ccncc4)CC3)n2)C1=O.O=C1NC(=O)/C(=C/c2ccnc(N3CC(=O)N(Cc4ccccc4)[C@@H](CO)C3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCN(C(=O)c4ccccc4)CC3)n2)S1.

What is the InChIKey of 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is NBJUPVPCRGXUKK-POCDEZGKSA-N. The full InChI is InChI=1S/C21H28N4O4S.C20H19N5O4S.C20H26N4O4S.C19H17N5O3S.C18H18N6O2S.C14H17N5O2S/c1-21(2,3)29-17(26)8-7-14-6-5-11-25(13-14)19-22-10-9-15(23-19)12-16-18(27)24(4)20(28)30-16;26-12-15-10-24(11-17(27)25(15)9-13-4-2-1-3-5-13)19-21-7-6-14(22-19)8-16-18(28)23-20(29)30-16;1-20(2,3)28-16(25)11-13-6-9-24(10-7-13)18-21-8-5-14(22-18)12-15-17(26)23(4)19(27)29-15;25-16-15(28-19(27)22-16)12-14-6-7-20-18(21-14)24-10-8-23(9-11-24)17(26)13-4-2-1-3-5-13;1-22-16(25)15(27-18(22)26)12-13-2-7-20-17(21-13)24-10-8-23(9-11-24)14-3-5-19-6-4-14;1-18-12(20)11(22-14(18)21)8-10-2-5-16-13(17-10)19-6-3-9(15)4-7-19/h9-10,12,14H,5-8,11,13H2,1-4H3;1-8,15,26H,9-12H2,(H,23,28,29);5,8,12-13H,6-7,9-11H2,1-4H3;1-7,12H,8-11H2,(H,22,25,27);2-7,12H,8-11H2,1H3;2,5,8-9H,3-4,6-7,15H2,1H3/b;16-8-;;15-12-;;/t;15-;;;;/m.1..../s1.

What are the key properties of 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 2373.82 g/mol, XLogP of 12.28, 22 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]acetate;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;3-methyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159732387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).