O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine

C6H11N3OS — CID 79427145

IUPACO-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine
SMILESCC(C)(C)c1nsc(ON)n1
InChIInChI=1S/C6H11N3OS/c1-6(2,3)4-8-5(10-7)11-9-4/h7H2,1-3H3
InChIKeyOQGYIZZTUMXACZ-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.09
Rot. Bonds1

About O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine

O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine (PubChem CID 79427145) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine.

Molecular Properties

Compound NameO-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine
PubChem CID79427145
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC NameO-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine
SMILESCC(C)(C)c1nsc(ON)n1
InChIInChI=1S/C6H11N3OS/c1-6(2,3)4-8-5(10-7)11-9-4/h7H2,1-3H3
InChIKeyOQGYIZZTUMXACZ-UHFFFAOYSA-N
XLogP1.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.09
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-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine?
The IUPAC name of O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine (CID 79427145) is O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine.
What is the SMILES notation for O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine?
The canonical SMILES for O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine is CC(C)(C)c1nsc(ON)n1.
What is the InChIKey of O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine?
The InChIKey is OQGYIZZTUMXACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-6(2,3)4-8-5(10-7)11-9-4/h7H2,1-3H3.
What are the key properties of O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine?
O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine has a molecular weight of 173.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hydroxylamine is sourced from PubChem (CID 79427145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).