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

C7H8N4O2S2 — CID 18893859

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Sc2nnc(N)s2)C1=O
InChIInChI=1S/C7H8N4O2S2/c1-11-4(12)2-3(5(11)13)14-7-10-9-6(8)15-7/h3H,2H2,1H3,(H2,8,9)
InChIKeyXMGZCLJRPRPGQP-UHFFFAOYSA-N
MW244.30 g/mol
LogP-0.03
Rot. Bonds2

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

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione (PubChem CID 18893859) has the molecular formula C7H8N4O2S2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione
PubChem CID18893859
Molecular FormulaC7H8N4O2S2
Molecular Weight244.30 g/mol
Exact Mass244.01
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Sc2nnc(N)s2)C1=O
InChIInChI=1S/C7H8N4O2S2/c1-11-4(12)2-3(5(11)13)14-7-10-9-6(8)15-7/h3H,2H2,1H3,(H2,8,9)
InChIKeyXMGZCLJRPRPGQP-UHFFFAOYSA-N
XLogP-0.03
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-Oxo-2-pyrrolidin-1-ylethyl)thio]-1,3,4-thiadiazol-2-amine
CID 558211
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 4883182
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
1-[2-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35363518
1-[2-[[5-(Propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 38660799
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 43212688
3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 43638450

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione (CID 18893859) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Sc2nnc(N)s2)C1=O.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is XMGZCLJRPRPGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S2/c1-11-4(12)2-3(5(11)13)14-7-10-9-6(8)15-7/h3H,2H2,1H3,(H2,8,9).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 244.30 g/mol, XLogP of -0.03, 2 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-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 18893859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).