4-ethylthiadiazolidine

C4H10N2S — CID 118913370

IUPAC4-ethylthiadiazolidine
SMILESCCC1CSNN1
InChIInChI=1S/C4H10N2S/c1-2-4-3-7-6-5-4/h4-6H,2-3H2,1H3
InChIKeyIVJDBQRKIVDYCE-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.52
Rot. Bonds1

About 4-ethylthiadiazolidine

4-ethylthiadiazolidine (PubChem CID 118913370) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 4-ethylthiadiazolidine.

Molecular Properties

Compound Name4-ethylthiadiazolidine
PubChem CID118913370
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name4-ethylthiadiazolidine
SMILESCCC1CSNN1
InChIInChI=1S/C4H10N2S/c1-2-4-3-7-6-5-4/h4-6H,2-3H2,1H3
InChIKeyIVJDBQRKIVDYCE-UHFFFAOYSA-N
XLogP0.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethylthiadiazolidine 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 4-ethylthiadiazolidine?
The IUPAC name of 4-ethylthiadiazolidine (CID 118913370) is 4-ethylthiadiazolidine.
What is the SMILES notation for 4-ethylthiadiazolidine?
The canonical SMILES for 4-ethylthiadiazolidine is CCC1CSNN1.
What is the InChIKey of 4-ethylthiadiazolidine?
The InChIKey is IVJDBQRKIVDYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-2-4-3-7-6-5-4/h4-6H,2-3H2,1H3.
What are the key properties of 4-ethylthiadiazolidine?
4-ethylthiadiazolidine has a molecular weight of 118.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthiadiazolidine is sourced from PubChem (CID 118913370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).