N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C8H12N4O2S2 — CID 2532190

IUPACN-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nncs1
InChIInChI=1S/C8H12N4O2S2/c1-2-3-9-7(14)11-6(13)4-15-8-12-10-5-16-8/h5H,2-4H2,1H3,(H2,9,11,13,14)
InChIKeyOORQGLDYAMPNQT-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.87
Rot. Bonds5

About N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2532190) has the molecular formula C8H12N4O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2532190
Molecular FormulaC8H12N4O2S2
Molecular Weight260.34 g/mol
Exact Mass260.04
IUPAC NameN-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nncs1
InChIInChI=1S/C8H12N4O2S2/c1-2-3-9-7(14)11-6(13)4-15-8-12-10-5-16-8/h5H,2-4H2,1H3,(H2,9,11,13,14)
InChIKeyOORQGLDYAMPNQT-UHFFFAOYSA-N
XLogP0.87
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)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 N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2532190) is N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CCCNC(=O)NC(=O)CSc1nncs1.
What is the InChIKey of N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is OORQGLDYAMPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S2/c1-2-3-9-7(14)11-6(13)4-15-8-12-10-5-16-8/h5H,2-4H2,1H3,(H2,9,11,13,14).
What are the key properties of N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2532190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).