3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one

C16H23NO4S2 — CID 3872207

IUPAC3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCSCCN1C(=O)CSC1c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H23NO4S2/c1-5-22-9-8-17-13(18)10-23-16(17)11-6-7-12(19-2)15(21-4)14(11)20-3/h6-7,16H,5,8-10H2,1-4H3
InChIKeyNXNDHNGTHKASAN-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.04
Rot. Bonds8

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

3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3872207) has the molecular formula C16H23NO4S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3872207
Molecular FormulaC16H23NO4S2
Molecular Weight357.50 g/mol
Exact Mass357.11
IUPAC Name3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCSCCN1C(=O)CSC1c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H23NO4S2/c1-5-22-9-8-17-13(18)10-23-16(17)11-6-7-12(19-2)15(21-4)14(11)20-3/h6-7,16H,5,8-10H2,1-4H3
InChIKeyNXNDHNGTHKASAN-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

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3856690
3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3814721
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one
CID 3807342
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
2-(2,4-dimethoxyphenyl)-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3857798
3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3505404
2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3856405
methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate
CID 3869284
4-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]benzonitrile
CID 3308500

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3872207) is 3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one is CCSCCN1C(=O)CSC1c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is NXNDHNGTHKASAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S2/c1-5-22-9-8-17-13(18)10-23-16(17)11-6-7-12(19-2)15(21-4)14(11)20-3/h6-7,16H,5,8-10H2,1-4H3.
What are the key properties of 3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-(2-ethylsulfanylethyl)-2-(2,3,4-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-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3872207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).