2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one

C16H23NO5S — CID 5150741

IUPAC2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CSC2C(OC)OC)cc1OC
InChIInChI=1S/C16H23NO5S/c1-19-12-6-5-11(9-13(12)20-2)7-8-17-14(18)10-23-15(17)16(21-3)22-4/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyRLCUOEYFLJRRCW-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.77
Rot. Bonds8

About 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one

2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 5150741) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID5150741
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CSC2C(OC)OC)cc1OC
InChIInChI=1S/C16H23NO5S/c1-19-12-6-5-11(9-13(12)20-2)7-8-17-14(18)10-23-15(17)16(21-3)22-4/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyRLCUOEYFLJRRCW-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-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-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3682766
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one
CID 3337931
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3713105
(2S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 1121586
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3755052
2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one
CID 3614097
(2R)-2-[5-(2,5-dichlorophenyl)furan-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 34360039
1-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,7a-tetrahydro-4H-indol-2-one
CID 135013598
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469
2-(5-bromothiophen-2-yl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3792645

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one (CID 5150741) is 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one is COc1ccc(CCN2C(=O)CSC2C(OC)OC)cc1OC.
What is the InChIKey of 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is RLCUOEYFLJRRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-19-12-6-5-11(9-13(12)20-2)7-8-17-14(18)10-23-15(17)16(21-3)22-4/h5-6,9,15-16H,7-8,10H2,1-4H3.
What are the key properties of 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 341.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5150741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).