4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C34H39F2N5O9S — CID 155022191

About 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 155022191) has the molecular formula C34H39F2N5O9S and a molecular weight of 731.77 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 155022191
• Molecular Formula: C34H39F2N5O9S
• Molecular Weight: 731.77 g/mol
• Exact Mass: 731.24
• IUPAC Name: 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: C=C/C(=C(OCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)\C(F)=C\F)c1csc(N2CCOCC2)n1
• InChI: InChI=1S/C34H39F2N5O9S/c1-2-22(26-21-51-34(38-26)40-9-12-47-13-10-40)30(24(36)20-35)50-19-18-49-17-16-48-15-14-46-11-8-37-25-5-3-4-23-29(25)33(45)41(32(23)44)27-6-7-28(42)39-31(27)43/h2-5,20-21,27,37H,1,6-19H2,(H,39,42,43)/b24-20-,30-22-
• InChIKey: HBHVERPUEVKIFI-VPLASOGTSA-N
• XLogP: 3.24
• TPSA: 157.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.77
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 155022191) is 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is C=C/C(=C(OCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)\C(F)=C\F)c1csc(N2CCOCC2)n1.

What is the InChIKey of 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is HBHVERPUEVKIFI-VPLASOGTSA-N. The full InChI is InChI=1S/C34H39F2N5O9S/c1-2-22(26-21-51-34(38-26)40-9-12-47-13-10-40)30(24(36)20-35)50-19-18-49-17-16-48-15-14-46-11-8-37-25-5-3-4-23-29(25)33(45)41(32(23)44)27-6-7-28(42)39-31(27)43/h2-5,20-21,27,37H,1,6-19H2,(H,39,42,43)/b24-20-,30-22-.

What are the key properties of 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 731.77 g/mol, XLogP of 3.24, 19 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[2-[(1Z,3Z)-1,2-difluoro-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)hexa-1,3,5-trien-3-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 155022191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).