2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one

C18H21NO3S2 — CID 3861067

IUPAC2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1C1SCC(=O)N1CCSCc1ccco1
InChIInChI=1S/C18H21NO3S2/c1-2-21-16-8-4-3-7-15(16)18-19(17(20)13-24-18)9-11-23-12-14-6-5-10-22-14/h3-8,10,18H,2,9,11-13H2,1H3
InChIKeyLMSLIJADZNWKEH-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.19
Rot. Bonds8

About 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one

2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 3861067) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID3861067
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC Name2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1C1SCC(=O)N1CCSCc1ccco1
InChIInChI=1S/C18H21NO3S2/c1-2-21-16-8-4-3-7-15(16)18-19(17(20)13-24-18)9-11-23-12-14-6-5-10-22-14/h3-8,10,18H,2,9,11-13H2,1H3
InChIKeyLMSLIJADZNWKEH-UHFFFAOYSA-N
XLogP4.19
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one (CID 3861067) is 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one is CCOc1ccccc1C1SCC(=O)N1CCSCc1ccco1.
What is the InChIKey of 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is LMSLIJADZNWKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-2-21-16-8-4-3-7-15(16)18-19(17(20)13-24-18)9-11-23-12-14-6-5-10-22-14/h3-8,10,18H,2,9,11-13H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 363.50 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3861067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).