N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide

C9H8N4OS2 — CID 43200075

IUPACN'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1Sc1nncs1
InChIInChI=1S/C9H8N4OS2/c10-8(13-14)6-3-1-2-4-7(6)16-9-12-11-5-15-9/h1-5,14H,(H2,10,13)
InChIKeyWYQPFHLFZDSFLA-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.78
Rot. Bonds3

About N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide

N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 43200075) has the molecular formula C9H8N4OS2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID43200075
Molecular FormulaC9H8N4OS2
Molecular Weight252.32 g/mol
Exact Mass252.01
IUPAC NameN'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1Sc1nncs1
InChIInChI=1S/C9H8N4OS2/c10-8(13-14)6-3-1-2-4-7(6)16-9-12-11-5-15-9/h1-5,14H,(H2,10,13)
InChIKeyWYQPFHLFZDSFLA-UHFFFAOYSA-N
XLogP1.78
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide (CID 43200075) is N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide is N/C(=N\O)c1ccccc1Sc1nncs1.
What is the InChIKey of N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is WYQPFHLFZDSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS2/c10-8(13-14)6-3-1-2-4-7(6)16-9-12-11-5-15-9/h1-5,14H,(H2,10,13).
What are the key properties of N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide?
N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 252.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 43200075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).