2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one

C10H12N2O2S — CID 137292355

IUPAC2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCC1(C)S/C(=N\Cc2ccco2)NC1=O
InChIInChI=1S/C10H12N2O2S/c1-10(2)8(13)12-9(15-10)11-6-7-4-3-5-14-7/h3-5H,6H2,1-2H3,(H,11,12,13)
InChIKeyKVEIBCJJSRLERU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.78
Rot. Bonds2

About 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one

2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one (PubChem CID 137292355) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
PubChem CID137292355
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
SMILESCC1(C)S/C(=N\Cc2ccco2)NC1=O
InChIInChI=1S/C10H12N2O2S/c1-10(2)8(13)12-9(15-10)11-6-7-4-3-5-14-7/h3-5H,6H2,1-2H3,(H,11,12,13)
InChIKeyKVEIBCJJSRLERU-UHFFFAOYSA-N
XLogP1.78
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one (CID 137292355) is 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one is CC1(C)S/C(=N\Cc2ccco2)NC1=O.
What is the InChIKey of 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is KVEIBCJJSRLERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-10(2)8(13)12-9(15-10)11-6-7-4-3-5-14-7/h3-5H,6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one?
2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 224.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).