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

C10H13NO2S2 — CID 91576814

IUPAC3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCSCc1ccco1
InChIInChI=1S/C10H13NO2S2/c12-10-7-15-8-11(10)3-5-14-6-9-2-1-4-13-9/h1-2,4H,3,5-8H2
InChIKeyVXHWVTOAAIXJPG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.05
Rot. Bonds5

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

3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 91576814) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID91576814
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Name3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCSCc1ccco1
InChIInChI=1S/C10H13NO2S2/c12-10-7-15-8-11(10)3-5-14-6-9-2-1-4-13-9/h1-2,4H,3,5-8H2
InChIKeyVXHWVTOAAIXJPG-UHFFFAOYSA-N
XLogP2.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-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-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3875125
2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3702133
2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3861067
N-(furan-2-ylmethyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 30376287
2-(2,5-dimethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3545454
1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one
CID 112780791
2-[2-(furan-2-ylmethylsulfanyl)ethyl]aniline
CID 62495920
2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazinan-4-one
CID 3537745
5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one
CID 43260375
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9203653
1-benzyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4803608
3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-thiazinan-4-one
CID 3717202

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one (CID 91576814) is 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one is O=C1CSCN1CCSCc1ccco1.
What is the InChIKey of 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is VXHWVTOAAIXJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c12-10-7-15-8-11(10)3-5-14-6-9-2-1-4-13-9/h1-2,4H,3,5-8H2.
What are the key properties of 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 243.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 91576814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).