3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

C7H12N2OS — CID 19712411

IUPAC3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1\SCC(=O)N1CC
InChIInChI=1S/C7H12N2OS/c1-3-8-7-9(4-2)6(10)5-11-7/h3-5H2,1-2H3/b8-7-
InChIKeyRLOSXCIXWXCHDQ-FPLPWBNLSA-N
MW172.25 g/mol
LogP0.96
Rot. Bonds2

About 3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (PubChem CID 19712411) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
PubChem CID19712411
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1\SCC(=O)N1CC
InChIInChI=1S/C7H12N2OS/c1-3-8-7-9(4-2)6(10)5-11-7/h3-5H2,1-2H3/b8-7-
InChIKeyRLOSXCIXWXCHDQ-FPLPWBNLSA-N
XLogP0.96
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-ethylimino-1,3-thiazolidin-4-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-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (CID 19712411) is 3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is CC/N=C1\SCC(=O)N1CC.
What is the InChIKey of 3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The InChIKey is RLOSXCIXWXCHDQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-8-7-9(4-2)6(10)5-11-7/h3-5H2,1-2H3/b8-7-.
What are the key properties of 3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
3-ethyl-2-ethylimino-1,3-thiazolidin-4-one has a molecular weight of 172.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 19712411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).