1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione

C11H16N4O2S2 — CID 38660799

IUPAC1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
SMILESCCCNc1nnc(SCCN2C(=O)CCC2=O)s1
InChIInChI=1S/C11H16N4O2S2/c1-2-5-12-10-13-14-11(19-10)18-7-6-15-8(16)3-4-9(15)17/h2-7H2,1H3,(H,12,13)
InChIKeyWEAWXUJEOFEBOW-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.60
Rot. Bonds7

About 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione

1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione (PubChem CID 38660799) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
PubChem CID38660799
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
SMILESCCCNc1nnc(SCCN2C(=O)CCC2=O)s1
InChIInChI=1S/C11H16N4O2S2/c1-2-5-12-10-13-14-11(19-10)18-7-6-15-8(16)3-4-9(15)17/h2-7H2,1H3,(H,12,13)
InChIKeyWEAWXUJEOFEBOW-UHFFFAOYSA-N
XLogP1.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]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 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione (CID 38660799) is 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione is CCCNc1nnc(SCCN2C(=O)CCC2=O)s1.
What is the InChIKey of 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is WEAWXUJEOFEBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-2-5-12-10-13-14-11(19-10)18-7-6-15-8(16)3-4-9(15)17/h2-7H2,1H3,(H,12,13).
What are the key properties of 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione?
1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 300.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 38660799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).