4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine

C15H16N2OS — CID 136960723

IUPAC4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine
SMILESc1ccc(CC2CS/C(=N\Cc3ccoc3)N2)cc1
InChIInChI=1S/C15H16N2OS/c1-2-4-12(5-3-1)8-14-11-19-15(17-14)16-9-13-6-7-18-10-13/h1-7,10,14H,8-9,11H2,(H,16,17)
InChIKeyPAYDYRYRGICDKO-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.08
Rot. Bonds4

About 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine

4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine (PubChem CID 136960723) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine
PubChem CID136960723
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine
SMILESc1ccc(CC2CS/C(=N\Cc3ccoc3)N2)cc1
InChIInChI=1S/C15H16N2OS/c1-2-4-12(5-3-1)8-14-11-19-15(17-14)16-9-13-6-7-18-10-13/h1-7,10,14H,8-9,11H2,(H,16,17)
InChIKeyPAYDYRYRGICDKO-UHFFFAOYSA-N
XLogP3.08
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine (CID 136960723) is 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine is c1ccc(CC2CS/C(=N\Cc3ccoc3)N2)cc1.
What is the InChIKey of 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine?
The InChIKey is PAYDYRYRGICDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-4-12(5-3-1)8-14-11-19-15(17-14)16-9-13-6-7-18-10-13/h1-7,10,14H,8-9,11H2,(H,16,17).
What are the key properties of 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine?
4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine has a molecular weight of 272.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136960723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).