3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione

C9H12N4O2S2 — CID 43827199

IUPAC3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
SMILESCc1nnc(N2C(=O)CC(SCCN)C2=O)s1
InChIInChI=1S/C9H12N4O2S2/c1-5-11-12-9(17-5)13-7(14)4-6(8(13)15)16-3-2-10/h6H,2-4,10H2,1H3
InChIKeyAHWMYOQWSCSESL-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.17
Rot. Bonds4

About 3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione

3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione (PubChem CID 43827199) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
PubChem CID43827199
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
SMILESCc1nnc(N2C(=O)CC(SCCN)C2=O)s1
InChIInChI=1S/C9H12N4O2S2/c1-5-11-12-9(17-5)13-7(14)4-6(8(13)15)16-3-2-10/h6H,2-4,10H2,1H3
InChIKeyAHWMYOQWSCSESL-UHFFFAOYSA-N
XLogP0.17
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2-aminoethylsulfanyl)-1-(5-methyl-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-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione (CID 43827199) is 3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione is Cc1nnc(N2C(=O)CC(SCCN)C2=O)s1.
What is the InChIKey of 3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is AHWMYOQWSCSESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-5-11-12-9(17-5)13-7(14)4-6(8(13)15)16-3-2-10/h6H,2-4,10H2,1H3.
What are the key properties of 3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione?
3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfanyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43827199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).