O-(1,3-thiazol-2-ylmethyl)hydroxylamine

C4H6N2OS — CID 59478221

IUPACO-(1,3-thiazol-2-ylmethyl)hydroxylamine
SMILESNOCc1nccs1
InChIInChI=1S/C4H6N2OS/c5-7-3-4-6-1-2-8-4/h1-2H,3,5H2
InChIKeyUUWQJQKAADVHSA-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.53
Rot. Bonds2

About O-(1,3-thiazol-2-ylmethyl)hydroxylamine

O-(1,3-thiazol-2-ylmethyl)hydroxylamine (PubChem CID 59478221) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is O-(1,3-thiazol-2-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(1,3-thiazol-2-ylmethyl)hydroxylamine
PubChem CID59478221
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC NameO-(1,3-thiazol-2-ylmethyl)hydroxylamine
SMILESNOCc1nccs1
InChIInChI=1S/C4H6N2OS/c5-7-3-4-6-1-2-8-4/h1-2H,3,5H2
InChIKeyUUWQJQKAADVHSA-UHFFFAOYSA-N
XLogP0.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-thiazol-2-ylmethyl)hydroxylamine?
The IUPAC name of O-(1,3-thiazol-2-ylmethyl)hydroxylamine (CID 59478221) is O-(1,3-thiazol-2-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(1,3-thiazol-2-ylmethyl)hydroxylamine?
The canonical SMILES for O-(1,3-thiazol-2-ylmethyl)hydroxylamine is NOCc1nccs1.
What is the InChIKey of O-(1,3-thiazol-2-ylmethyl)hydroxylamine?
The InChIKey is UUWQJQKAADVHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c5-7-3-4-6-1-2-8-4/h1-2H,3,5H2.
What are the key properties of O-(1,3-thiazol-2-ylmethyl)hydroxylamine?
O-(1,3-thiazol-2-ylmethyl)hydroxylamine has a molecular weight of 130.17 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1,3-thiazol-2-ylmethyl)hydroxylamine is sourced from PubChem (CID 59478221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).