N'-hydroxy-4-phenylthiadiazole-5-carboximidamide

C9H8N4OS — CID 136897153

IUPACN'-hydroxy-4-phenylthiadiazole-5-carboximidamide
SMILESN/C(=N/O)c1snnc1-c1ccccc1
InChIInChI=1S/C9H8N4OS/c10-9(12-14)8-7(11-13-15-8)6-4-2-1-3-5-6/h1-5,14H,(H2,10,12)
InChIKeySQHIFQIMYSQGDS-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.30
Rot. Bonds2

About N'-hydroxy-4-phenylthiadiazole-5-carboximidamide

N'-hydroxy-4-phenylthiadiazole-5-carboximidamide (PubChem CID 136897153) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is N'-hydroxy-4-phenylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-phenylthiadiazole-5-carboximidamide
PubChem CID136897153
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC NameN'-hydroxy-4-phenylthiadiazole-5-carboximidamide
SMILESN/C(=N/O)c1snnc1-c1ccccc1
InChIInChI=1S/C9H8N4OS/c10-9(12-14)8-7(11-13-15-8)6-4-2-1-3-5-6/h1-5,14H,(H2,10,12)
InChIKeySQHIFQIMYSQGDS-UHFFFAOYSA-N
XLogP1.30
TPSA84.39 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N'-hydroxy-4-phenylthiadiazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-4-phenylthiadiazole-5-carboximidamide (CID 136897153) is N'-hydroxy-4-phenylthiadiazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-phenylthiadiazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-4-phenylthiadiazole-5-carboximidamide is N/C(=N/O)c1snnc1-c1ccccc1.
What is the InChIKey of N'-hydroxy-4-phenylthiadiazole-5-carboximidamide?
The InChIKey is SQHIFQIMYSQGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-9(12-14)8-7(11-13-15-8)6-4-2-1-3-5-6/h1-5,14H,(H2,10,12).
What are the key properties of N'-hydroxy-4-phenylthiadiazole-5-carboximidamide?
N'-hydroxy-4-phenylthiadiazole-5-carboximidamide has a molecular weight of 220.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-phenylthiadiazole-5-carboximidamide is sourced from PubChem (CID 136897153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).