3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one

C25H25NO5S — CID 3813482

IUPAC3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(CN2C(=O)CSC2c2ccc(OCc3ccccc3)c(OC)c2)ccc1O
InChIInChI=1S/C25H25NO5S/c1-29-22-12-18(8-10-20(22)27)14-26-24(28)16-32-25(26)19-9-11-21(23(13-19)30-2)31-15-17-6-4-3-5-7-17/h3-13,25,27H,14-16H2,1-2H3
InChIKeyAZKCLEGMPWYNQK-UHFFFAOYSA-N
MW451.54 g/mol
LogP4.76
Rot. Bonds8

About 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one

3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3813482) has the molecular formula C25H25NO5S and a molecular weight of 451.54 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3813482
Molecular FormulaC25H25NO5S
Molecular Weight451.54 g/mol
Exact Mass451.15
IUPAC Name3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(CN2C(=O)CSC2c2ccc(OCc3ccccc3)c(OC)c2)ccc1O
InChIInChI=1S/C25H25NO5S/c1-29-22-12-18(8-10-20(22)27)14-26-24(28)16-32-25(26)19-9-11-21(23(13-19)30-2)31-15-17-6-4-3-5-7-17/h3-13,25,27H,14-16H2,1-2H3
InChIKeyAZKCLEGMPWYNQK-UHFFFAOYSA-N
XLogP4.76
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one (CID 3813482) is 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(CN2C(=O)CSC2c2ccc(OCc3ccccc3)c(OC)c2)ccc1O.
What is the InChIKey of 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is AZKCLEGMPWYNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5S/c1-29-22-12-18(8-10-20(22)27)14-26-24(28)16-32-25(26)19-9-11-21(23(13-19)30-2)31-15-17-6-4-3-5-7-17/h3-13,25,27H,14-16H2,1-2H3.
What are the key properties of 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 451.54 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3813482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).