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

C7H8N4O2S — CID 3662679

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESNc1nnc(CN2C(=O)CCC2=O)s1
InChIInChI=1S/C7H8N4O2S/c8-7-10-9-4(14-7)3-11-5(12)1-2-6(11)13/h1-3H2,(H2,8,10)
InChIKeyCCAFSIXBMLEIJP-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.23
Rot. Bonds2

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

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 3662679) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID3662679
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESNc1nnc(CN2C(=O)CCC2=O)s1
InChIInChI=1S/C7H8N4O2S/c8-7-10-9-4(14-7)3-11-5(12)1-2-6(11)13/h1-3H2,(H2,8,10)
InChIKeyCCAFSIXBMLEIJP-UHFFFAOYSA-N
XLogP-0.23
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione (CID 3662679) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione is Nc1nnc(CN2C(=O)CCC2=O)s1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is CCAFSIXBMLEIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c8-7-10-9-4(14-7)3-11-5(12)1-2-6(11)13/h1-3H2,(H2,8,10).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 212.23 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3662679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).