3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one

C15H14N2O2S — CID 656370

IUPAC3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one
SMILESO=C1CN(Cc2ccccc2)/C(=N/Cc2ccco2)S1
InChIInChI=1S/C15H14N2O2S/c18-14-11-17(10-12-5-2-1-3-6-12)15(20-14)16-9-13-7-4-8-19-13/h1-8H,9-11H2/b16-15-
InChIKeyRKDCAMBUTXTWEP-NXVVXOECSA-N
MW286.36 g/mol
LogP2.91
Rot. Bonds4

About 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one

3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one (PubChem CID 656370) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one.

Molecular Properties

Compound Name3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one
PubChem CID656370
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one
SMILESO=C1CN(Cc2ccccc2)/C(=N/Cc2ccco2)S1
InChIInChI=1S/C15H14N2O2S/c18-14-11-17(10-12-5-2-1-3-6-12)15(20-14)16-9-13-7-4-8-19-13/h1-8H,9-11H2/b16-15-
InChIKeyRKDCAMBUTXTWEP-NXVVXOECSA-N
XLogP2.91
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one?
The IUPAC name of 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one (CID 656370) is 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one.
What is the SMILES notation for 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one?
The canonical SMILES for 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one is O=C1CN(Cc2ccccc2)/C(=N/Cc2ccco2)S1.
What is the InChIKey of 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one?
The InChIKey is RKDCAMBUTXTWEP-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-14-11-17(10-12-5-2-1-3-6-12)15(20-14)16-9-13-7-4-8-19-13/h1-8H,9-11H2/b16-15-.
What are the key properties of 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one?
3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one has a molecular weight of 286.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(furan-2-ylmethylimino)-1,3-thiazolidin-5-one is sourced from PubChem (CID 656370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).