O-(4-amino-1,3-thiazol-2-yl)hydroxylamine

C3H5N3OS — CID 19987746

IUPACO-(4-amino-1,3-thiazol-2-yl)hydroxylamine
SMILESNOc1nc(N)cs1
InChIInChI=1S/C3H5N3OS/c4-2-1-8-3(6-2)7-5/h1H,4-5H2
InChIKeyAUYZWZVCSZMOIO-UHFFFAOYSA-N
MW131.16 g/mol
LogP-0.02
Rot. Bonds1

About O-(4-amino-1,3-thiazol-2-yl)hydroxylamine

O-(4-amino-1,3-thiazol-2-yl)hydroxylamine (PubChem CID 19987746) has the molecular formula C3H5N3OS and a molecular weight of 131.16 g/mol. Its IUPAC name is O-(4-amino-1,3-thiazol-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(4-amino-1,3-thiazol-2-yl)hydroxylamine
PubChem CID19987746
Molecular FormulaC3H5N3OS
Molecular Weight131.16 g/mol
Exact Mass131.02
IUPAC NameO-(4-amino-1,3-thiazol-2-yl)hydroxylamine
SMILESNOc1nc(N)cs1
InChIInChI=1S/C3H5N3OS/c4-2-1-8-3(6-2)7-5/h1H,4-5H2
InChIKeyAUYZWZVCSZMOIO-UHFFFAOYSA-N
XLogP-0.02
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-(4-amino-1,3-thiazol-2-yl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-(4-amino-1,3-thiazol-2-yl)hydroxylamine?
The IUPAC name of O-(4-amino-1,3-thiazol-2-yl)hydroxylamine (CID 19987746) is O-(4-amino-1,3-thiazol-2-yl)hydroxylamine.
What is the SMILES notation for O-(4-amino-1,3-thiazol-2-yl)hydroxylamine?
The canonical SMILES for O-(4-amino-1,3-thiazol-2-yl)hydroxylamine is NOc1nc(N)cs1.
What is the InChIKey of O-(4-amino-1,3-thiazol-2-yl)hydroxylamine?
The InChIKey is AUYZWZVCSZMOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3OS/c4-2-1-8-3(6-2)7-5/h1H,4-5H2.
What are the key properties of O-(4-amino-1,3-thiazol-2-yl)hydroxylamine?
O-(4-amino-1,3-thiazol-2-yl)hydroxylamine has a molecular weight of 131.16 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-amino-1,3-thiazol-2-yl)hydroxylamine is sourced from PubChem (CID 19987746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).