3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide

C7H13N5OS2 — CID 79631384

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(CSc1nnc(N)s1)C(=O)NN
InChIInChI=1S/C7H13N5OS2/c1-7(2,4(13)10-9)3-14-6-12-11-5(8)15-6/h3,9H2,1-2H3,(H2,8,11)(H,10,13)
InChIKeyOKLIEDQTNPMQKM-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.23
Rot. Bonds4

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide (PubChem CID 79631384) has the molecular formula C7H13N5OS2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide
PubChem CID79631384
Molecular FormulaC7H13N5OS2
Molecular Weight247.35 g/mol
Exact Mass247.06
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(CSc1nnc(N)s1)C(=O)NN
InChIInChI=1S/C7H13N5OS2/c1-7(2,4(13)10-9)3-14-6-12-11-5(8)15-6/h3,9H2,1-2H3,(H2,8,11)(H,10,13)
InChIKeyOKLIEDQTNPMQKM-UHFFFAOYSA-N
XLogP0.23
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide 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-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide (CID 79631384) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide is CC(C)(CSc1nnc(N)s1)C(=O)NN.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide?
The InChIKey is OKLIEDQTNPMQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS2/c1-7(2,4(13)10-9)3-14-6-12-11-5(8)15-6/h3,9H2,1-2H3,(H2,8,11)(H,10,13).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide has a molecular weight of 247.35 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79631384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).