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

C9H10N4O2S2 — CID 43638457

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione
SMILESNc1nnc(SC2CC(=O)N(C3CC3)C2=O)s1
InChIInChI=1S/C9H10N4O2S2/c10-8-11-12-9(17-8)16-5-3-6(14)13(7(5)15)4-1-2-4/h4-5H,1-3H2,(H2,10,11)
InChIKeyNPYOBIUVEUDZHQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.50
Rot. Bonds3

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

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 43638457) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID43638457
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione
SMILESNc1nnc(SC2CC(=O)N(C3CC3)C2=O)s1
InChIInChI=1S/C9H10N4O2S2/c10-8-11-12-9(17-8)16-5-3-6(14)13(7(5)15)4-1-2-4/h4-5H,1-3H2,(H2,10,11)
InChIKeyNPYOBIUVEUDZHQ-UHFFFAOYSA-N
XLogP0.50
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
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]-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione (CID 43638457) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione is Nc1nnc(SC2CC(=O)N(C3CC3)C2=O)s1.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is NPYOBIUVEUDZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c10-8-11-12-9(17-8)16-5-3-6(14)13(7(5)15)4-1-2-4/h4-5H,1-3H2,(H2,10,11).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 270.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 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]-1-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).