4-phenylthiadiazole-5-carbohydrazide

C9H8N4OS — CID 2776856

IUPAC4-phenylthiadiazole-5-carbohydrazide
SMILESNNC(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C9H8N4OS/c10-11-9(14)8-7(12-13-15-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,14)
InChIKeyXDVVXTHOGVAERA-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.81
Rot. Bonds2

About 4-phenylthiadiazole-5-carbohydrazide

4-phenylthiadiazole-5-carbohydrazide (PubChem CID 2776856) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 4-phenylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-phenylthiadiazole-5-carbohydrazide
PubChem CID2776856
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name4-phenylthiadiazole-5-carbohydrazide
SMILESNNC(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C9H8N4OS/c10-11-9(14)8-7(12-13-15-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,14)
InChIKeyXDVVXTHOGVAERA-UHFFFAOYSA-N
XLogP0.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenylthiadiazole-5-carbohydrazide?
The IUPAC name of 4-phenylthiadiazole-5-carbohydrazide (CID 2776856) is 4-phenylthiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-phenylthiadiazole-5-carbohydrazide?
The canonical SMILES for 4-phenylthiadiazole-5-carbohydrazide is NNC(=O)c1snnc1-c1ccccc1.
What is the InChIKey of 4-phenylthiadiazole-5-carbohydrazide?
The InChIKey is XDVVXTHOGVAERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-11-9(14)8-7(12-13-15-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,14).
What are the key properties of 4-phenylthiadiazole-5-carbohydrazide?
4-phenylthiadiazole-5-carbohydrazide has a molecular weight of 220.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 2776856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).