3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide

C6H10N4OS2 — CID 63582668

IUPAC3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide
SMILESCC(CC(=O)NN)Sc1nncs1
InChIInChI=1S/C6H10N4OS2/c1-4(2-5(11)9-7)13-6-10-8-3-12-6/h3-4H,2,7H2,1H3,(H,9,11)
InChIKeyILUQACBASVPHRW-UHFFFAOYSA-N
MW218.31 g/mol
LogP0.40
Rot. Bonds4

About 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide

3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide (PubChem CID 63582668) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide
PubChem CID63582668
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide
SMILESCC(CC(=O)NN)Sc1nncs1
InChIInChI=1S/C6H10N4OS2/c1-4(2-5(11)9-7)13-6-10-8-3-12-6/h3-4H,2,7H2,1H3,(H,9,11)
InChIKeyILUQACBASVPHRW-UHFFFAOYSA-N
XLogP0.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide 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 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide (CID 63582668) is 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide is CC(CC(=O)NN)Sc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide?
The InChIKey is ILUQACBASVPHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c1-4(2-5(11)9-7)13-6-10-8-3-12-6/h3-4H,2,7H2,1H3,(H,9,11).
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide?
3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide has a molecular weight of 218.31 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide is sourced from PubChem (CID 63582668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).