5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one

About 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one

5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one (PubChem CID 57252598) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name	5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one
PubChem CID	57252598
Molecular Formula	C24H28N2O4S
Molecular Weight	440.57 g/mol
Exact Mass	440.18
IUPAC Name	5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one
SMILES	Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(C/N=C3\SCNC3=O)cc1)O2
InChI	InChI=1S/C24H28N2O4S/c1-14-15(2)21-19(16(3)20(14)27)9-10-24(4,30-21)12-29-18-7-5-17(6-8-18)11-25-23-22(28)26-13-31-23/h5-8,27H,9-13H2,1-4H3,(H,26,28)/b25-23-
InChIKey	AYIOLCVPNSKHRL-BZZOAKBMSA-N
XLogP	4.20
TPSA	80.15 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one?

The IUPAC name of 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one (CID 57252598) is 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one is Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(C/N=C3\SCNC3=O)cc1)O2.

What is the InChIKey of 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one?

The InChIKey is AYIOLCVPNSKHRL-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-14-15(2)21-19(16(3)20(14)27)9-10-24(4,30-21)12-29-18-7-5-17(6-8-18)11-25-23-22(28)26-13-31-23/h5-8,27H,9-13H2,1-4H3,(H,26,28)/b25-23-.

What are the key properties of 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one?

5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one has a molecular weight of 440.57 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 57252598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).