2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one

C17H19NO4S2 — CID 3873596

IUPAC2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)c(CN2C(=O)CSC2c2cccs2)c(OC)c1
InChIInChI=1S/C17H19NO4S2/c1-20-11-7-13(21-2)12(14(8-11)22-3)9-18-16(19)10-24-17(18)15-5-4-6-23-15/h4-8,17H,9-10H2,1-3H3
InChIKeyZPJBKUXYENDBSS-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.55
Rot. Bonds6

About 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one

2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3873596) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3873596
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC Name2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)c(CN2C(=O)CSC2c2cccs2)c(OC)c1
InChIInChI=1S/C17H19NO4S2/c1-20-11-7-13(21-2)12(14(8-11)22-3)9-18-16(19)10-24-17(18)15-5-4-6-23-15/h4-8,17H,9-10H2,1-3H3
InChIKeyZPJBKUXYENDBSS-UHFFFAOYSA-N
XLogP3.55
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-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-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3313737
3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4054923
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3873599
(2S)-3-[3-[(2S)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 10093008
methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate
CID 3873645
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3752592
3-[(2-fluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3741447
3-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3447830
3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazinan-4-one
CID 5010150
3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4657694
2-(2,4-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4669256

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 3873596) is 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1cc(OC)c(CN2C(=O)CSC2c2cccs2)c(OC)c1.
What is the InChIKey of 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is ZPJBKUXYENDBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-20-11-7-13(21-2)12(14(8-11)22-3)9-18-16(19)10-24-17(18)15-5-4-6-23-15/h4-8,17H,9-10H2,1-3H3.
What are the key properties of 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 365.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3-[(2,4,6-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3873596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).