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

C15H17NO2S3 — CID 3875125

IUPAC3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccsc1C1SCC(=O)N1CCSCc1ccco1
InChIInChI=1S/C15H17NO2S3/c1-11-4-7-20-14(11)15-16(13(17)10-21-15)5-8-19-9-12-3-2-6-18-12/h2-4,6-7,15H,5,8-10H2,1H3
InChIKeyZCAUIMLRZXEGLC-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.16
Rot. Bonds6

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

3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one (PubChem CID 3875125) has the molecular formula C15H17NO2S3 and a molecular weight of 339.51 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
PubChem CID3875125
Molecular FormulaC15H17NO2S3
Molecular Weight339.51 g/mol
Exact Mass339.04
IUPAC Name3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccsc1C1SCC(=O)N1CCSCc1ccco1
InChIInChI=1S/C15H17NO2S3/c1-11-4-7-20-14(11)15-16(13(17)10-21-15)5-8-19-9-12-3-2-6-18-12/h2-4,6-7,15H,5,8-10H2,1H3
InChIKeyZCAUIMLRZXEGLC-UHFFFAOYSA-N
XLogP4.16
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.16
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 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one (CID 3875125) is 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one is Cc1ccsc1C1SCC(=O)N1CCSCc1ccco1.
What is the InChIKey of 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is ZCAUIMLRZXEGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S3/c1-11-4-7-20-14(11)15-16(13(17)10-21-15)5-8-19-9-12-3-2-6-18-12/h2-4,6-7,15H,5,8-10H2,1H3.
What are the key properties of 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 339.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3875125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).