3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one

C16H23NO5S — CID 3846130

IUPAC3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H23NO5S/c1-5-22-7-6-17-14(18)10-23-16(17)15-12(20-3)8-11(19-2)9-13(15)21-4/h8-9,16H,5-7,10H2,1-4H3
InChIKeyHITMVDBVXXLGCB-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.32
Rot. Bonds8

About 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one

3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3846130) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3846130
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)CSC1c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H23NO5S/c1-5-22-7-6-17-14(18)10-23-16(17)15-12(20-3)8-11(19-2)9-13(15)21-4/h8-9,16H,5-7,10H2,1-4H3
InChIKeyHITMVDBVXXLGCB-UHFFFAOYSA-N
XLogP2.32
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-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-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanenitrile
CID 4987874
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
CID 4987525
3-[2-(1H-imidazol-5-yl)ethyl]-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23939955
3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 5146903
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3870243
2-(5-bromothiophen-2-yl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3773919

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3846130) is 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one is CCOCCN1C(=O)CSC1c1c(OC)cc(OC)cc1OC.
What is the InChIKey of 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is HITMVDBVXXLGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-5-22-7-6-17-14(18)10-23-16(17)15-12(20-3)8-11(19-2)9-13(15)21-4/h8-9,16H,5-7,10H2,1-4H3.
What are the key properties of 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 341.43 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3846130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).