2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C10H12N4O3S2 — CID 17034779

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CN2C(=O)CCC2=O)s1
InChIInChI=1S/C10H12N4O3S2/c1-2-18-10-13-12-9(19-10)11-6(15)5-14-7(16)3-4-8(14)17/h2-5H2,1H3,(H,11,12,15)
InChIKeyPTDADVJMPIFNQY-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.74
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 17034779) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID17034779
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CN2C(=O)CCC2=O)s1
InChIInChI=1S/C10H12N4O3S2/c1-2-18-10-13-12-9(19-10)11-6(15)5-14-7(16)3-4-8(14)17/h2-5H2,1H3,(H,11,12,15)
InChIKeyPTDADVJMPIFNQY-UHFFFAOYSA-N
XLogP0.74
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 17034779) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CCSc1nnc(NC(=O)CN2C(=O)CCC2=O)s1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PTDADVJMPIFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-2-18-10-13-12-9(19-10)11-6(15)5-14-7(16)3-4-8(14)17/h2-5H2,1H3,(H,11,12,15).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 300.37 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 17034779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).