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

C16H23NO4S2 — CID 3556568

IUPAC3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)c(C2SCC(=O)N2CCCSC)cc1OC
InChIInChI=1S/C16H23NO4S2/c1-19-12-9-14(21-3)13(20-2)8-11(12)16-17(6-5-7-22-4)15(18)10-23-16/h8-9,16H,5-7,10H2,1-4H3
InChIKeyLDFQKMAWOVGBPG-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.04
Rot. Bonds8

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

3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3556568) has the molecular formula C16H23NO4S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3556568
Molecular FormulaC16H23NO4S2
Molecular Weight357.50 g/mol
Exact Mass357.11
IUPAC Name3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)c(C2SCC(=O)N2CCCSC)cc1OC
InChIInChI=1S/C16H23NO4S2/c1-19-12-9-14(21-3)13(20-2)8-11(12)16-17(6-5-7-22-4)15(18)10-23-16/h8-9,16H,5-7,10H2,1-4H3
InChIKeyLDFQKMAWOVGBPG-UHFFFAOYSA-N
XLogP3.04
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
CID 3597487
3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3474517
3-[3-(4-methylpiperazin-1-yl)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23763714
3-(2-morpholin-4-ylethyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23883321
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 7260789
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
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
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23851729
N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3313329
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3556568) is 3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(OC)c(C2SCC(=O)N2CCCSC)cc1OC.
What is the InChIKey of 3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LDFQKMAWOVGBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S2/c1-19-12-9-14(21-3)13(20-2)8-11(12)16-17(6-5-7-22-4)15(18)10-23-16/h8-9,16H,5-7,10H2,1-4H3.
What are the key properties of 3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 357.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3556568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).