2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C9H8N4O3S — CID 3362204

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2C(=O)C=CC2=O)s1
InChIInChI=1S/C9H8N4O3S/c1-5-11-12-9(17-5)10-6(14)4-13-7(15)2-3-8(13)16/h2-3H,4H2,1H3,(H,10,12,14)
InChIKeyKCUJDQVCBMMKKL-UHFFFAOYSA-N
MW252.25 g/mol
LogP-0.29
Rot. Bonds3

About 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3362204) has the molecular formula C9H8N4O3S and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3362204
Molecular FormulaC9H8N4O3S
Molecular Weight252.25 g/mol
Exact Mass252.03
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2C(=O)C=CC2=O)s1
InChIInChI=1S/C9H8N4O3S/c1-5-11-12-9(17-5)10-6(14)4-13-7(15)2-3-8(13)16/h2-3H,4H2,1H3,(H,10,12,14)
InChIKeyKCUJDQVCBMMKKL-UHFFFAOYSA-N
XLogP-0.29
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3362204) is 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN2C(=O)C=CC2=O)s1.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KCUJDQVCBMMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3S/c1-5-11-12-9(17-5)10-6(14)4-13-7(15)2-3-8(13)16/h2-3H,4H2,1H3,(H,10,12,14).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 252.25 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3362204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).