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

C122H116N18O18S12 — CID 158317016

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

(5E)-5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 158317016) has the molecular formula C122H116N18O18S12 and a molecular weight of 2507.18 g/mol. Its IUPAC name is (5E)-5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 158317016
• Molecular Formula: C122H116N18O18S12
• Molecular Weight: 2507.18 g/mol
• Exact Mass: 2504.54
• IUPAC Name: (5E)-5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1nc(-c2ccccc2)cs1.CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1nccs1.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc(-c2ccccc2)cs1.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nccs1.Cc1sc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)nc1-c1ccccc1.Cc1sc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1-c1ccccc1
• InChI: InChI=1S/C23H23N3O3S2.C23H21N3O3S2.C22H21N3O3S2.C22H19N3O3S2.C16H17N3O3S2.C16H15N3O3S2/c2*1-15-20(17-6-4-3-5-7-17)24-22(30-15)26(2)12-13-29-18-10-8-16(9-11-18)14-19-21(27)25-23(28)31-19;2*1-25(21-23-18(14-29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-19-20(26)24-22(27)30-19;2*1-19(15-17-6-9-23-15)7-8-22-12-4-2-11(3-5-12)10-13-14(20)18-16(21)24-13/h3-11,19H,12-14H2,1-2H3,(H,25,27,28);3-11,14H,12-13H2,1-2H3,(H,25,27,28);2-10,14,19H,11-13H2,1H3,(H,24,26,27);2-10,13-14H,11-12H2,1H3,(H,24,26,27);2-6,9,13H,7-8,10H2,1H3,(H,18,20,21);2-6,9-10H,7-8H2,1H3,(H,18,20,21)/b;19-14+;;19-13+;;13-10+
• InChIKey: GOJNWSDVDKRCSH-XCGMKWEPSA-N
• XLogP: 23.89
• TPSA: 429.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 43
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2507.18
LogP ≤ 5	23.89
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-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 158317016) is (5E)-5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[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-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1nc(-c2ccccc2)cs1.CN(CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1)c1nccs1.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc(-c2ccccc2)cs1.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nccs1.Cc1sc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)nc1-c1ccccc1.Cc1sc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1-c1ccccc1.

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

The InChIKey is GOJNWSDVDKRCSH-XCGMKWEPSA-N. The full InChI is InChI=1S/C23H23N3O3S2.C23H21N3O3S2.C22H21N3O3S2.C22H19N3O3S2.C16H17N3O3S2.C16H15N3O3S2/c2*1-15-20(17-6-4-3-5-7-17)24-22(30-15)26(2)12-13-29-18-10-8-16(9-11-18)14-19-21(27)25-23(28)31-19;2*1-25(21-23-18(14-29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-19-20(26)24-22(27)30-19;2*1-19(15-17-6-9-23-15)7-8-22-12-4-2-11(3-5-12)10-13-14(20)18-16(21)24-13/h3-11,19H,12-14H2,1-2H3,(H,25,27,28);3-11,14H,12-13H2,1-2H3,(H,25,27,28);2-10,14,19H,11-13H2,1H3,(H,24,26,27);2-10,13-14H,11-12H2,1H3,(H,24,26,27);2-6,9,13H,7-8,10H2,1H3,(H,18,20,21);2-6,9-10H,7-8H2,1H3,(H,18,20,21)/b;19-14+;;19-13+;;13-10+.

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

(5E)-5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 2507.18 g/mol, XLogP of 23.89, 43 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5E)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158317016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).