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

C9H12N4O2S2 — CID 43638452

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Sc2nnc(N)s2)C1=O
InChIInChI=1S/C9H12N4O2S2/c1-2-3-13-6(14)4-5(7(13)15)16-9-12-11-8(10)17-9/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyRPPUSBNKZJVSEH-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.75
Rot. Bonds4

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

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione (PubChem CID 43638452) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione
PubChem CID43638452
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Sc2nnc(N)s2)C1=O
InChIInChI=1S/C9H12N4O2S2/c1-2-3-13-6(14)4-5(7(13)15)16-9-12-11-8(10)17-9/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyRPPUSBNKZJVSEH-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
1-{[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl}-N-ethylpyrrolidine-3-carboxamide
CID 46994099
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 4883182
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
CID 46984029
1-[2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 20454970
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 2481296
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 2481299
1-[2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 8633179
1-[2-[[5-(Propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 9378708
1-[2-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 9379551
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide
CID 13048752
4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 17033943

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione (CID 43638452) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(Sc2nnc(N)s2)C1=O.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione?
The InChIKey is RPPUSBNKZJVSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-2-3-13-6(14)4-5(7(13)15)16-9-12-11-8(10)17-9/h5H,2-4H2,1H3,(H2,10,11).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propylpyrrolidine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 0.75, 4 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-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).