2-ethyl-1,2-thiazolidine

C5H11NS — CID 13493125

IUPAC2-ethyl-1,2-thiazolidine
SMILESCCN1CCCS1
InChIInChI=1S/C5H11NS/c1-2-6-4-3-5-7-6/h2-5H2,1H3
InChIKeyHIASRAYNPJRHMF-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.36
Rot. Bonds1

About 2-ethyl-1,2-thiazolidine

2-ethyl-1,2-thiazolidine (PubChem CID 13493125) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-ethyl-1,2-thiazolidine.

Molecular Properties

Compound Name2-ethyl-1,2-thiazolidine
PubChem CID13493125
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-ethyl-1,2-thiazolidine
SMILESCCN1CCCS1
InChIInChI=1S/C5H11NS/c1-2-6-4-3-5-7-6/h2-5H2,1H3
InChIKeyHIASRAYNPJRHMF-UHFFFAOYSA-N
XLogP1.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2-thiazolidine?
The IUPAC name of 2-ethyl-1,2-thiazolidine (CID 13493125) is 2-ethyl-1,2-thiazolidine.
What is the SMILES notation for 2-ethyl-1,2-thiazolidine?
The canonical SMILES for 2-ethyl-1,2-thiazolidine is CCN1CCCS1.
What is the InChIKey of 2-ethyl-1,2-thiazolidine?
The InChIKey is HIASRAYNPJRHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-2-6-4-3-5-7-6/h2-5H2,1H3.
What are the key properties of 2-ethyl-1,2-thiazolidine?
2-ethyl-1,2-thiazolidine has a molecular weight of 117.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2-thiazolidine is sourced from PubChem (CID 13493125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).