O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine

C4H7N3OS — CID 70124561

IUPACO-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine
SMILESCc1nnsc1CON
InChIInChI=1S/C4H7N3OS/c1-3-4(2-8-5)9-7-6-3/h2,5H2,1H3
InChIKeyOBJGUKRTKROBKT-UHFFFAOYSA-N
MW145.19 g/mol
LogP0.24
Rot. Bonds2

About O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine

O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine (PubChem CID 70124561) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine
PubChem CID70124561
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC NameO-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine
SMILESCc1nnsc1CON
InChIInChI=1S/C4H7N3OS/c1-3-4(2-8-5)9-7-6-3/h2,5H2,1H3
InChIKeyOBJGUKRTKROBKT-UHFFFAOYSA-N
XLogP0.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine (CID 70124561) is O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine is Cc1nnsc1CON.
What is the InChIKey of O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine?
The InChIKey is OBJGUKRTKROBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c1-3-4(2-8-5)9-7-6-3/h2,5H2,1H3.
What are the key properties of O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine?
O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine has a molecular weight of 145.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 70124561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).