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

C15H21NO3S2 — CID 3597487

IUPAC2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2SCC(=O)N2CCCSC)c1
InChIInChI=1S/C15H21NO3S2/c1-18-11-5-6-13(19-2)12(9-11)15-16(7-4-8-20-3)14(17)10-21-15/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyNJQRZPDTJUEWRG-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.03
Rot. Bonds7

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

2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one (PubChem CID 3597487) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
PubChem CID3597487
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2SCC(=O)N2CCCSC)c1
InChIInChI=1S/C15H21NO3S2/c1-18-11-5-6-13(19-2)12(9-11)15-16(7-4-8-20-3)14(17)10-21-15/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyNJQRZPDTJUEWRG-UHFFFAOYSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3556568
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23851729
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 7260789
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
2-(2,5-dimethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3545454
3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3752592
2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3866950
2-(2,4-dimethoxyphenyl)-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3857798
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one (CID 3597487) is 2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one is COc1ccc(OC)c(C2SCC(=O)N2CCCSC)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is NJQRZPDTJUEWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S2/c1-18-11-5-6-13(19-2)12(9-11)15-16(7-4-8-20-3)14(17)10-21-15/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one?
2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 327.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3597487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).