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

C11H16N4O2S2 — CID 43638460

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(Sc2nnc(N)s2)C1=O
InChIInChI=1S/C11H16N4O2S2/c1-3-6(4-2)15-8(16)5-7(9(15)17)18-11-14-13-10(12)19-11/h6-7H,3-5H2,1-2H3,(H2,12,13)
InChIKeyALKMSXUWAKGZEV-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.53
Rot. Bonds5

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

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 43638460) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID43638460
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(Sc2nnc(N)s2)C1=O
InChIInChI=1S/C11H16N4O2S2/c1-3-6(4-2)15-8(16)5-7(9(15)17)18-11-14-13-10(12)19-11/h6-7H,3-5H2,1-2H3,(H2,12,13)
InChIKeyALKMSXUWAKGZEV-UHFFFAOYSA-N
XLogP1.53
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.53
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

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)sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 24243810
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
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylbutanamide
CID 13048752
4-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 17035015
3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione
CID 18893859
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 26757234
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 26757236

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione (CID 43638460) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione is CCC(CC)N1C(=O)CC(Sc2nnc(N)s2)C1=O.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is ALKMSXUWAKGZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-3-6(4-2)15-8(16)5-7(9(15)17)18-11-14-13-10(12)19-11/h6-7H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 300.41 g/mol, XLogP of 1.53, 5 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-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).