2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

C25H25NO3S — CID 3488865

IUPAC2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCSC2c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3S/c1-28-21-13-11-19(12-14-21)17-24(27)26-15-16-30-25(26)22-9-5-6-10-23(22)29-18-20-7-3-2-4-8-20/h2-14,25H,15-18H2,1H3
InChIKeyWWLIEJCYFUHYFV-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.09
Rot. Bonds7

About 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 3488865) has the molecular formula C25H25NO3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID3488865
Molecular FormulaC25H25NO3S
Molecular Weight419.55 g/mol
Exact Mass419.16
IUPAC Name2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCSC2c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3S/c1-28-21-13-11-19(12-14-21)17-24(27)26-15-16-30-25(26)22-9-5-6-10-23(22)29-18-20-7-3-2-4-8-20/h2-14,25H,15-18H2,1H3
InChIKeyWWLIEJCYFUHYFV-UHFFFAOYSA-N
XLogP5.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-2-thiophen-2-ylethanone
CID 93115036
3,3-dimethyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 4113607
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7271195
(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 1025017
naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3647053
N-(2-ethylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5069506
2-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 5240450
ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7297696
2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
CID 5079864
(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025935

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 3488865) is 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is COc1ccc(CC(=O)N2CCSC2c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is WWLIEJCYFUHYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3S/c1-28-21-13-11-19(12-14-21)17-24(27)26-15-16-30-25(26)22-9-5-6-10-23(22)29-18-20-7-3-2-4-8-20/h2-14,25H,15-18H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 419.55 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 3488865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).