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

C68H65N9O9S6 — CID 161166429

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

(5E)-5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 161166429) has the molecular formula C68H65N9O9S6 and a molecular weight of 1344.72 g/mol. Its IUPAC name is (5E)-5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 161166429
• Molecular Formula: C68H65N9O9S6
• Molecular Weight: 1344.72 g/mol
• Exact Mass: 1343.32
• IUPAC Name: (5E)-5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)s1.Cc1nc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)sc1-c1ccccc1.Cc1nc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)sc1-c1ccccc1
• InChI: InChI=1S/C23H23N3O3S2.C23H21N3O3S2.C22H21N3O3S2/c2*1-15-20(17-6-4-3-5-7-17)31-22(24-15)26(2)12-13-29-18-10-8-16(9-11-18)14-19-21(27)25-23(28)30-19;1-25(21-23-14-19(29-21)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18-20(26)24-22(27)30-18/h3-11,19H,12-14H2,1-2H3,(H,25,27,28);3-11,14H,12-13H2,1-2H3,(H,25,27,28);2-10,14,18H,11-13H2,1H3,(H,24,26,27)/b;19-14+
• InChIKey: UQPFRWUHBKBYRK-UDWLAIPWSA-N
• XLogP: 13.70
• TPSA: 214.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1344.72
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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

The IUPAC name of (5E)-5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 161166429) is (5E)-5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-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-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncc(-c2ccccc2)s1.Cc1nc(N(C)CCOc2ccc(/C=C3/SC(=O)NC3=O)cc2)sc1-c1ccccc1.Cc1nc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)sc1-c1ccccc1.

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

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

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

(5E)-5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 1344.72 g/mol, XLogP of 13.70, 23 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl-(5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 161166429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).