N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine

C10H8N3O2S- — CID 20831329

IUPACN-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine
SMILES[O-]N(O)c1ccc(/C=C/c2csnn2)cc1
InChIInChI=1S/C10H8N3O2S/c14-13(15)10-5-2-8(3-6-10)1-4-9-7-16-12-11-9/h1-7,14H/q-1/b4-1+
InChIKeyVEMUDGOHVYQGEO-DAFODLJHSA-N
MW234.26 g/mol
LogP2.40
Rot. Bonds3

About N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine

N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine (PubChem CID 20831329) has the molecular formula C10H8N3O2S- and a molecular weight of 234.26 g/mol. Its IUPAC name is N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine
PubChem CID20831329
Molecular FormulaC10H8N3O2S-
Molecular Weight234.26 g/mol
Exact Mass234.03
IUPAC NameN-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine
SMILES[O-]N(O)c1ccc(/C=C/c2csnn2)cc1
InChIInChI=1S/C10H8N3O2S/c14-13(15)10-5-2-8(3-6-10)1-4-9-7-16-12-11-9/h1-7,14H/q-1/b4-1+
InChIKeyVEMUDGOHVYQGEO-DAFODLJHSA-N
XLogP2.40
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine?
The IUPAC name of N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine (CID 20831329) is N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine.
What is the SMILES notation for N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine?
The canonical SMILES for N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine is [O-]N(O)c1ccc(/C=C/c2csnn2)cc1.
What is the InChIKey of N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine?
The InChIKey is VEMUDGOHVYQGEO-DAFODLJHSA-N. The full InChI is InChI=1S/C10H8N3O2S/c14-13(15)10-5-2-8(3-6-10)1-4-9-7-16-12-11-9/h1-7,14H/q-1/b4-1+.
What are the key properties of N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine?
N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine has a molecular weight of 234.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine is sourced from PubChem (CID 20831329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).