(5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C34H38N2O5S — CID 10627181

About (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10627181) has the molecular formula C34H38N2O5S and a molecular weight of 586.75 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 10627181
• Molecular Formula: C34H38N2O5S
• Molecular Weight: 586.75 g/mol
• Exact Mass: 586.25
• IUPAC Name: (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN(C)CCOc1ccc(/C=C3\SC(=O)NC3=O)cc1)O2
• InChI: InChI=1S/C34H38N2O5S/c1-22-23(2)31-28(24(3)30(22)40-20-26-9-7-6-8-10-26)15-16-34(4,41-31)21-36(5)17-18-39-27-13-11-25(12-14-27)19-29-32(37)35-33(38)42-29/h6-14,19H,15-18,20-21H2,1-5H3,(H,35,37,38)/b29-19-
• InChIKey: IUCVMFQGKCHLPG-CEUNXORHSA-N
• XLogP: 6.61
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.75
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 10627181) is (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN(C)CCOc1ccc(/C=C3\SC(=O)NC3=O)cc1)O2.

What is the InChIKey of (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is IUCVMFQGKCHLPG-CEUNXORHSA-N. The full InChI is InChI=1S/C34H38N2O5S/c1-22-23(2)31-28(24(3)30(22)40-20-26-9-7-6-8-10-26)15-16-34(4,41-31)21-36(5)17-18-39-27-13-11-25(12-14-27)19-29-32(37)35-33(38)42-29/h6-14,19H,15-18,20-21H2,1-5H3,(H,35,37,38)/b29-19-.

What are the key properties of (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 586.75 g/mol, XLogP of 6.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[4-[2-[methyl-[(2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10627181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).