3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

C19H21NO3S2 — CID 3874642

IUPAC3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OCCN2C(=O)CSC2c2ccc(SC)cc2)cc1
InChIInChI=1S/C19H21NO3S2/c1-22-15-5-7-16(8-6-15)23-12-11-20-18(21)13-25-19(20)14-3-9-17(24-2)10-4-14/h3-10,19H,11-13H2,1-2H3
InChIKeyZCCKACBFBKZNHA-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.07
Rot. Bonds7

About 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3874642) has the molecular formula C19H21NO3S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID3874642
Molecular FormulaC19H21NO3S2
Molecular Weight375.52 g/mol
Exact Mass375.10
IUPAC Name3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OCCN2C(=O)CSC2c2ccc(SC)cc2)cc1
InChIInChI=1S/C19H21NO3S2/c1-22-15-5-7-16(8-6-15)23-12-11-20-18(21)13-25-19(20)14-3-9-17(24-2)10-4-14/h3-10,19H,11-13H2,1-2H3
InChIKeyZCCKACBFBKZNHA-UHFFFAOYSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one 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

3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 5184666
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
3-[2-(2-hydroxyethylsulfanyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3832795
3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3814721
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
3-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3396492
N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 3398219
methyl 6-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3806298

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 3874642) is 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is COc1ccc(OCCN2C(=O)CSC2c2ccc(SC)cc2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is ZCCKACBFBKZNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S2/c1-22-15-5-7-16(8-6-15)23-12-11-20-18(21)13-25-19(20)14-3-9-17(24-2)10-4-14/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 375.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3874642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).