3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C8H9N3OS2 — CID 1375769

IUPAC3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1=Nc1nccs1
InChIInChI=1S/C8H9N3OS2/c1-2-11-6(12)5-14-8(11)10-7-9-3-4-13-7/h3-4H,2,5H2,1H3
InChIKeyKDKRMLDEGWORKL-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.73
Rot. Bonds2

About 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 1375769) has the molecular formula C8H9N3OS2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID1375769
Molecular FormulaC8H9N3OS2
Molecular Weight227.31 g/mol
Exact Mass227.02
IUPAC Name3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1=Nc1nccs1
InChIInChI=1S/C8H9N3OS2/c1-2-11-6(12)5-14-8(11)10-7-9-3-4-13-7/h3-4H,2,5H2,1H3
InChIKeyKDKRMLDEGWORKL-UHFFFAOYSA-N
XLogP1.73
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 1375769) is 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is CCN1C(=O)CSC1=Nc1nccs1.
What is the InChIKey of 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is KDKRMLDEGWORKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS2/c1-2-11-6(12)5-14-8(11)10-7-9-3-4-13-7/h3-4H,2,5H2,1H3.
What are the key properties of 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 227.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1375769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).