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

C10H14N4O2S2 — CID 43638451

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Sc2nnc(N)s2)C1=O
InChIInChI=1S/C10H14N4O2S2/c1-3-5(2)14-7(15)4-6(8(14)16)17-10-13-12-9(11)18-10/h5-6H,3-4H2,1-2H3,(H2,11,12)
InChIKeyBGDNGTGFGPFHNP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.14
Rot. Bonds4

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

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione (PubChem CID 43638451) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione
PubChem CID43638451
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Sc2nnc(N)s2)C1=O
InChIInChI=1S/C10H14N4O2S2/c1-3-5(2)14-7(15)4-6(8(14)16)17-10-13-12-9(11)18-10/h5-6H,3-4H2,1-2H3,(H2,11,12)
InChIKeyBGDNGTGFGPFHNP-UHFFFAOYSA-N
XLogP1.14
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.14
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-butan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione (CID 43638451) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Sc2nnc(N)s2)C1=O.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione?
The InChIKey is BGDNGTGFGPFHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-3-5(2)14-7(15)4-6(8(14)16)17-10-13-12-9(11)18-10/h5-6H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-butan-2-ylpyrrolidine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 1.14, 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-butan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43638451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).