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

C24H23NO3S — CID 11842574

IUPAC3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-27-21-11-7-18(8-12-21)15-25-23(26)17-29-24(25)20-9-13-22(14-10-20)28-16-19-5-3-2-4-6-19/h2-14,24H,15-17H2,1H3
InChIKeyPOXOLTVBAWVGHT-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.05
Rot. Bonds7

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

3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 11842574) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID11842574
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO3S/c1-27-21-11-7-18(8-12-21)15-25-23(26)17-29-24(25)20-9-13-22(14-10-20)28-16-19-5-3-2-4-6-19/h2-14,24H,15-17H2,1H3
InChIKeyPOXOLTVBAWVGHT-UHFFFAOYSA-N
XLogP5.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one (CID 11842574) is 3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)CSC2c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is POXOLTVBAWVGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-27-21-11-7-18(8-12-21)15-25-23(26)17-29-24(25)20-9-13-22(14-10-20)28-16-19-5-3-2-4-6-19/h2-14,24H,15-17H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 405.52 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 11842574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).