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

C6H6N4O2S2 — CID 43638450

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESNc1nnc(SC2CC(=O)NC2=O)s1
InChIInChI=1S/C6H6N4O2S2/c7-5-9-10-6(14-5)13-2-1-3(11)8-4(2)12/h2H,1H2,(H2,7,9)(H,8,11,12)
InChIKeyWXBXAAFDFPFUIG-UHFFFAOYSA-N
MW230.27 g/mol
LogP-0.37
Rot. Bonds2

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

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione (PubChem CID 43638450) has the molecular formula C6H6N4O2S2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
PubChem CID43638450
Molecular FormulaC6H6N4O2S2
Molecular Weight230.27 g/mol
Exact Mass229.99
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESNc1nnc(SC2CC(=O)NC2=O)s1
InChIInChI=1S/C6H6N4O2S2/c7-5-9-10-6(14-5)13-2-1-3(11)8-4(2)12/h2H,1H2,(H2,7,9)(H,8,11,12)
InChIKeyWXBXAAFDFPFUIG-UHFFFAOYSA-N
XLogP-0.37
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione (CID 43638450) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione is Nc1nnc(SC2CC(=O)NC2=O)s1.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The InChIKey is WXBXAAFDFPFUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2S2/c7-5-9-10-6(14-5)13-2-1-3(11)8-4(2)12/h2H,1H2,(H2,7,9)(H,8,11,12).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione has a molecular weight of 230.27 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 43638450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).