(5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C104H112N18O18S12 — CID 160868410

About (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 160868410) has the molecular formula C104H112N18O18S12 and a molecular weight of 2286.95 g/mol. Its IUPAC name is (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 160868410
• Molecular Formula: C104H112N18O18S12
• Molecular Weight: 2286.95 g/mol
• Exact Mass: 2284.51
• IUPAC Name: (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1cnc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)s1.Cc1cnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)s1.Cc1csc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)n1.Cc1csc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)n1.Cc1nc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)sc1C.Cc1nc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)sc1C
• InChI: InChI=1S/C18H21N3O3S2.C18H19N3O3S2.C17H19N3O3S2.C17H17N3O3S2.C17H19N3O3S2.C17H17N3O3S2/c2*1-11-12(2)25-17(19-11)21(3)8-9-24-14-6-4-13(5-7-14)10-15-16(22)20-18(23)26-15;2*1-11-10-24-16(18-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14;2*1-11-10-18-16(24-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14/h4-7,15H,8-10H2,1-3H3,(H,20,22,23);4-7,10H,8-9H2,1-3H3,(H,20,22,23);3-6,10,14H,7-9H2,1-2H3,(H,19,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,21,22);3-6,10,14H,7-9H2,1-2H3,(H,19,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,21,22)/b;15-10+;;14-9+;;14-9+
• InChIKey: SLLAPEFOHFMTTP-AQJUQIJDSA-N
• XLogP: 19.07
• TPSA: 429.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 39
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2286.95
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

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 (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 160868410) is (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1cnc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)s1.Cc1cnc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)s1.Cc1csc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)n1.Cc1csc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)n1.Cc1nc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)sc1C.Cc1nc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)sc1C.

What is the InChIKey of (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is SLLAPEFOHFMTTP-AQJUQIJDSA-N. The full InChI is InChI=1S/C18H21N3O3S2.C18H19N3O3S2.C17H19N3O3S2.C17H17N3O3S2.C17H19N3O3S2.C17H17N3O3S2/c2*1-11-12(2)25-17(19-11)21(3)8-9-24-14-6-4-13(5-7-14)10-15-16(22)20-18(23)26-15;2*1-11-10-24-16(18-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14;2*1-11-10-18-16(24-11)20(2)7-8-23-13-5-3-12(4-6-13)9-14-15(21)19-17(22)25-14/h4-7,15H,8-10H2,1-3H3,(H,20,22,23);4-7,10H,8-9H2,1-3H3,(H,20,22,23);3-6,10,14H,7-9H2,1-2H3,(H,19,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,21,22);3-6,10,14H,7-9H2,1-2H3,(H,19,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,21,22)/b;15-10+;;14-9+;;14-9+.

What are the key properties of (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

(5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 2286.95 g/mol, XLogP of 19.07, 39 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 160868410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).