3-ethyl-1,3-thiazolidine;formic acid

C6H13NO2S — CID 169177669

IUPAC3-ethyl-1,3-thiazolidine;formic acid
SMILESCCN1CCSC1.O=CO
InChIInChI=1S/C5H11NS.CH2O2/c1-2-6-3-4-7-5-6;2-1-3/h2-5H2,1H3;1H,(H,2,3)
InChIKeyBDWOTVHDYXBXJM-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.71
Rot. Bonds1

About 3-ethyl-1,3-thiazolidine;formic acid

3-ethyl-1,3-thiazolidine;formic acid (PubChem CID 169177669) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-ethyl-1,3-thiazolidine;formic acid.

Molecular Properties

Compound Name3-ethyl-1,3-thiazolidine;formic acid
PubChem CID169177669
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-ethyl-1,3-thiazolidine;formic acid
SMILESCCN1CCSC1.O=CO
InChIInChI=1S/C5H11NS.CH2O2/c1-2-6-3-4-7-5-6;2-1-3/h2-5H2,1H3;1H,(H,2,3)
InChIKeyBDWOTVHDYXBXJM-UHFFFAOYSA-N
XLogP0.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-1,3-thiazolidine;formic acid with MolForge

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

Launch Full Analysis

Related Compounds

Ethane;formic acid;3-propan-2-yl-1,3-thiazolidine
CID 169177266

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-thiazolidine;formic acid?
The IUPAC name of 3-ethyl-1,3-thiazolidine;formic acid (CID 169177669) is 3-ethyl-1,3-thiazolidine;formic acid.
What is the SMILES notation for 3-ethyl-1,3-thiazolidine;formic acid?
The canonical SMILES for 3-ethyl-1,3-thiazolidine;formic acid is CCN1CCSC1.O=CO.
What is the InChIKey of 3-ethyl-1,3-thiazolidine;formic acid?
The InChIKey is BDWOTVHDYXBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.CH2O2/c1-2-6-3-4-7-5-6;2-1-3/h2-5H2,1H3;1H,(H,2,3).
What are the key properties of 3-ethyl-1,3-thiazolidine;formic acid?
3-ethyl-1,3-thiazolidine;formic acid has a molecular weight of 163.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-thiazolidine;formic acid is sourced from PubChem (CID 169177669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).