3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione

C10H13N3O2S2 — CID 43860629

IUPAC3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(c2nnc(CC)s2)C1=O
InChIInChI=1S/C10H13N3O2S2/c1-3-7-11-12-10(17-7)13-8(14)5-6(9(13)15)16-4-2/h6H,3-5H2,1-2H3
InChIKeyAWTRZPHVXASDLY-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.49
Rot. Bonds4

About 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione

3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione (PubChem CID 43860629) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
PubChem CID43860629
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(c2nnc(CC)s2)C1=O
InChIInChI=1S/C10H13N3O2S2/c1-3-7-11-12-10(17-7)13-8(14)5-6(9(13)15)16-4-2/h6H,3-5H2,1-2H3
InChIKeyAWTRZPHVXASDLY-UHFFFAOYSA-N
XLogP1.49
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione 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-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione (CID 43860629) is 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione is CCSC1CC(=O)N(c2nnc(CC)s2)C1=O.
What is the InChIKey of 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is AWTRZPHVXASDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-3-7-11-12-10(17-7)13-8(14)5-6(9(13)15)16-4-2/h6H,3-5H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 271.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43860629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).