(5Z)-5-[[2-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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

C104H118N30O16S7 — CID 161355196

About (5Z)-5-[[2-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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 161355196) has the molecular formula C104H118N30O16S7 and a molecular weight of 2268.75 g/mol. Its IUPAC name is (5Z)-5-[[2-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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: 161355196
• Molecular Formula: C104H118N30O16S7
• Molecular Weight: 2268.75 g/mol
• Exact Mass: 2266.74
• IUPAC Name: (5Z)-5-[[2-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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)C1.CN(c1nccc(/C=C2\SC(=O)NC2=O)n1)C1CCCCC1.COCCOc1cc(/C=C2\SC(=O)NC2=O)nc(N2CCN(c3ccc(C)cc3)CC2)n1.NC1CCCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)C1.O=C1NC(=O)/C(=C/c2ccnc(N3CCCCC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCCCCC3)n2)S1
• InChI: InChI=1S/C22H25N5O4S.C15H18N4O2S.2C14H16N4O2S.C13H15N5O2S.2C13H14N4O2S/c1-15-3-5-17(6-4-15)26-7-9-27(10-8-26)21-23-16(13-18-20(28)25-22(29)32-18)14-19(24-21)31-12-11-30-2;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;1-9-3-2-6-18(8-9)13-15-5-4-10(16-13)7-11-12(19)17-14(20)21-11;19-12-11(21-14(20)17-12)9-10-5-6-15-13(16-10)18-7-3-1-2-4-8-18;14-8-2-1-5-18(7-8)12-15-4-3-9(16-12)6-10-11(19)17-13(20)21-10;1-8-3-5-17(7-8)12-14-4-2-9(15-12)6-10-11(18)16-13(19)20-10;18-11-10(20-13(19)16-11)8-9-4-5-14-12(15-9)17-6-2-1-3-7-17/h3-6,13-14H,7-12H2,1-2H3,(H,25,28,29);7-9,11H,2-6H2,1H3,(H,18,20,21);4-5,7,9H,2-3,6,8H2,1H3,(H,17,19,20);5-6,9H,1-4,7-8H2,(H,17,19,20);3-4,6,8H,1-2,5,7,14H2,(H,17,19,20);2,4,6,8H,3,5,7H2,1H3,(H,16,18,19);4-5,8H,1-3,6-7H2,(H,16,18,19)/b18-13-;12-9-;11-7-;11-9-;2*10-6-;10-8-
• InChIKey: VOLHOUDKKWKRPL-LTIJNGPASA-N
• XLogP: 13.41
• TPSA: 574.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2268.75
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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 161355196) is (5Z)-5-[[2-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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)C1.CN(c1nccc(/C=C2\SC(=O)NC2=O)n1)C1CCCCC1.COCCOc1cc(/C=C2\SC(=O)NC2=O)nc(N2CCN(c3ccc(C)cc3)CC2)n1.NC1CCCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)C1.O=C1NC(=O)/C(=C/c2ccnc(N3CCCCC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCCCCC3)n2)S1.

What is the InChIKey of (5Z)-5-[[2-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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 VOLHOUDKKWKRPL-LTIJNGPASA-N. The full InChI is InChI=1S/C22H25N5O4S.C15H18N4O2S.2C14H16N4O2S.C13H15N5O2S.2C13H14N4O2S/c1-15-3-5-17(6-4-15)26-7-9-27(10-8-26)21-23-16(13-18-20(28)25-22(29)32-18)14-19(24-21)31-12-11-30-2;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;1-9-3-2-6-18(8-9)13-15-5-4-10(16-13)7-11-12(19)17-14(20)21-11;19-12-11(21-14(20)17-12)9-10-5-6-15-13(16-10)18-7-3-1-2-4-8-18;14-8-2-1-5-18(7-8)12-15-4-3-9(16-12)6-10-11(19)17-13(20)21-10;1-8-3-5-17(7-8)12-14-4-2-9(15-12)6-10-11(18)16-13(19)20-10;18-11-10(20-13(19)16-11)8-9-4-5-14-12(15-9)17-6-2-1-3-7-17/h3-6,13-14H,7-12H2,1-2H3,(H,25,28,29);7-9,11H,2-6H2,1H3,(H,18,20,21);4-5,7,9H,2-3,6,8H2,1H3,(H,17,19,20);5-6,9H,1-4,7-8H2,(H,17,19,20);3-4,6,8H,1-2,5,7,14H2,(H,17,19,20);2,4,6,8H,3,5,7H2,1H3,(H,16,18,19);4-5,8H,1-3,6-7H2,(H,16,18,19)/b18-13-;12-9-;11-7-;11-9-;2*10-6-;10-8-.

What are the key properties of (5Z)-5-[[2-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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 2268.75 g/mol, XLogP of 13.41, 20 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-(3-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(azepan-1-yl)pyrimidin-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-[[6-(2-methoxyethoxy)-2-[4-(4-methylphenyl)piperazin-1-yl]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;(5Z)-5-[[2-(3-methylpyrrolidin-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 161355196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).