2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one

C16H23NO4S — CID 3358569

IUPAC2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)cc(C2SCC(=O)N2CC(C)(C)CO)c1
InChIInChI=1S/C16H23NO4S/c1-16(2,10-18)9-17-14(19)8-22-15(17)11-5-12(20-3)7-13(6-11)21-4/h5-7,15,18H,8-10H2,1-4H3
InChIKeyIFHWDMJXMFWYCS-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.30
Rot. Bonds6

About 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one

2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one (PubChem CID 3358569) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
PubChem CID3358569
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)cc(C2SCC(=O)N2CC(C)(C)CO)c1
InChIInChI=1S/C16H23NO4S/c1-16(2,10-18)9-17-14(19)8-22-15(17)11-5-12(20-3)7-13(6-11)21-4/h5-7,15,18H,8-10H2,1-4H3
InChIKeyIFHWDMJXMFWYCS-UHFFFAOYSA-N
XLogP2.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-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

2-(3,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 3594995
3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3724582
ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3290194
3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3371955
3-[(3,5-dimethoxyphenyl)methyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3364686
3-[(3,5-dimethoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 5184666
2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 4018828
3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3688527
methyl 4-[4-oxo-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3317359
3-(2-bromoethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 19075728
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one
CID 23822954
3-[2-(2-hydroxyethylsulfanyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3832795

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one (CID 3358569) is 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one is COc1cc(OC)cc(C2SCC(=O)N2CC(C)(C)CO)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is IFHWDMJXMFWYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-16(2,10-18)9-17-14(19)8-22-15(17)11-5-12(20-3)7-13(6-11)21-4/h5-7,15,18H,8-10H2,1-4H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one?
2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 325.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3358569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).