(NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine

C3H4N4OS — CID 144731041

IUPAC(NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine
SMILESNc1nc(/C=N/O)ns1
InChIInChI=1S/C3H4N4OS/c4-3-6-2(1-5-8)7-9-3/h1,8H,(H2,4,6,7)/b5-1+
InChIKeyIFFVDABMGNEMQQ-ORCRQEGFSA-N
MW144.16 g/mol
LogP-0.07
Rot. Bonds1

About (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine

(NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine (PubChem CID 144731041) has the molecular formula C3H4N4OS and a molecular weight of 144.16 g/mol. Its IUPAC name is (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine
PubChem CID144731041
Molecular FormulaC3H4N4OS
Molecular Weight144.16 g/mol
Exact Mass144.01
IUPAC Name(NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine
SMILESNc1nc(/C=N/O)ns1
InChIInChI=1S/C3H4N4OS/c4-3-6-2(1-5-8)7-9-3/h1,8H,(H2,4,6,7)/b5-1+
InChIKeyIFFVDABMGNEMQQ-ORCRQEGFSA-N
XLogP-0.07
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine (CID 144731041) is (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine is Nc1nc(/C=N/O)ns1.
What is the InChIKey of (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine?
The InChIKey is IFFVDABMGNEMQQ-ORCRQEGFSA-N. The full InChI is InChI=1S/C3H4N4OS/c4-3-6-2(1-5-8)7-9-3/h1,8H,(H2,4,6,7)/b5-1+.
What are the key properties of (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine?
(NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine has a molecular weight of 144.16 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 144731041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).