N'-benzoylthiadiazole-4-carbohydrazide

C10H8N4O2S — CID 11425161

IUPACN'-benzoylthiadiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C10H8N4O2S/c15-9(7-4-2-1-3-5-7)12-13-10(16)8-6-17-14-11-8/h1-6H,(H,12,15)(H,13,16)
InChIKeyVFHFWXDUQHYHBF-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.61
Rot. Bonds2

About N'-benzoylthiadiazole-4-carbohydrazide

N'-benzoylthiadiazole-4-carbohydrazide (PubChem CID 11425161) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is N'-benzoylthiadiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoylthiadiazole-4-carbohydrazide
PubChem CID11425161
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC NameN'-benzoylthiadiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csnn1)c1ccccc1
InChIInChI=1S/C10H8N4O2S/c15-9(7-4-2-1-3-5-7)12-13-10(16)8-6-17-14-11-8/h1-6H,(H,12,15)(H,13,16)
InChIKeyVFHFWXDUQHYHBF-UHFFFAOYSA-N
XLogP0.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoylthiadiazole-4-carbohydrazide?
The IUPAC name of N'-benzoylthiadiazole-4-carbohydrazide (CID 11425161) is N'-benzoylthiadiazole-4-carbohydrazide.
What is the SMILES notation for N'-benzoylthiadiazole-4-carbohydrazide?
The canonical SMILES for N'-benzoylthiadiazole-4-carbohydrazide is O=C(NNC(=O)c1csnn1)c1ccccc1.
What is the InChIKey of N'-benzoylthiadiazole-4-carbohydrazide?
The InChIKey is VFHFWXDUQHYHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c15-9(7-4-2-1-3-5-7)12-13-10(16)8-6-17-14-11-8/h1-6H,(H,12,15)(H,13,16).
What are the key properties of N'-benzoylthiadiazole-4-carbohydrazide?
N'-benzoylthiadiazole-4-carbohydrazide has a molecular weight of 248.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoylthiadiazole-4-carbohydrazide is sourced from PubChem (CID 11425161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).