N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

C6H6N4OS2 — CID 2800528

IUPACN-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC#N)s1
InChIInChI=1S/C6H6N4OS2/c1-4(11)8-5-9-10-6(13-5)12-3-2-7/h3H2,1H3,(H,8,9,11)
InChIKeyOSGVBEVJCNQOAU-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.11
Rot. Bonds3

About N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2800528) has the molecular formula C6H6N4OS2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2800528
Molecular FormulaC6H6N4OS2
Molecular Weight214.27 g/mol
Exact Mass214.00
IUPAC NameN-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC#N)s1
InChIInChI=1S/C6H6N4OS2/c1-4(11)8-5-9-10-6(13-5)12-3-2-7/h3H2,1H3,(H,8,9,11)
InChIKeyOSGVBEVJCNQOAU-UHFFFAOYSA-N
XLogP1.11
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(cyanomethylsulfanyl)-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 N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 2800528) is N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(SCC#N)s1.
What is the InChIKey of N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OSGVBEVJCNQOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS2/c1-4(11)8-5-9-10-6(13-5)12-3-2-7/h3H2,1H3,(H,8,9,11).
What are the key properties of N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 214.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2800528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).