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

C8H7N5OS2 — CID 43187786

IUPACN'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1Sc1nncs1
InChIInChI=1S/C8H7N5OS2/c9-6(13-14)5-2-1-3-10-7(5)16-8-12-11-4-15-8/h1-4,14H,(H2,9,13)
InChIKeyCGXVJBAGKOKMEX-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.18
Rot. Bonds3

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

N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide (PubChem CID 43187786) has the molecular formula C8H7N5OS2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide
PubChem CID43187786
Molecular FormulaC8H7N5OS2
Molecular Weight253.31 g/mol
Exact Mass253.01
IUPAC NameN'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1Sc1nncs1
InChIInChI=1S/C8H7N5OS2/c9-6(13-14)5-2-1-3-10-7(5)16-8-12-11-4-15-8/h1-4,14H,(H2,9,13)
InChIKeyCGXVJBAGKOKMEX-UHFFFAOYSA-N
XLogP1.18
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide (CID 43187786) is N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide is N/C(=N\O)c1cccnc1Sc1nncs1.
What is the InChIKey of N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide?
The InChIKey is CGXVJBAGKOKMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5OS2/c9-6(13-14)5-2-1-3-10-7(5)16-8-12-11-4-15-8/h1-4,14H,(H2,9,13).
What are the key properties of N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide?
N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide has a molecular weight of 253.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide is sourced from PubChem (CID 43187786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).