5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C30H36N2O7S — CID 139636554

About 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 139636554) has the molecular formula C30H36N2O7S and a molecular weight of 568.69 g/mol. Its IUPAC name is 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 139636554
• Molecular Formula: C30H36N2O7S
• Molecular Weight: 568.69 g/mol
• Exact Mass: 568.22
• IUPAC Name: 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1c(C)c2c(c(C)c1OCC(=O)N1CCOCC1)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
• InChI: InChI=1S/C30H36N2O7S/c1-18-19(2)27-23(20(3)26(18)37-16-25(33)32-11-13-36-14-12-32)9-10-30(4,39-27)17-38-22-7-5-21(6-8-22)15-24-28(34)31-29(35)40-24/h5-8,24H,9-17H2,1-4H3,(H,31,34,35)
• InChIKey: OTYXQLGTNFGXKG-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 103.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.69
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 139636554) is 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1c(C)c2c(c(C)c1OCC(=O)N1CCOCC1)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2.

What is the InChIKey of 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is OTYXQLGTNFGXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O7S/c1-18-19(2)27-23(20(3)26(18)37-16-25(33)32-11-13-36-14-12-32)9-10-30(4,39-27)17-38-22-7-5-21(6-8-22)15-24-28(34)31-29(35)40-24/h5-8,24H,9-17H2,1-4H3,(H,31,34,35).

What are the key properties of 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 568.69 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 139636554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).