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

C3H3BrN2OS — CID 79424599

IUPACO-(4-bromo-1,3-thiazol-2-yl)hydroxylamine
SMILESNOc1nc(Br)cs1
InChIInChI=1S/C3H3BrN2OS/c4-2-1-8-3(6-2)7-5/h1H,5H2
InChIKeyJSPJAIZQZYSPNB-UHFFFAOYSA-N
MW195.04 g/mol
LogP1.16
Rot. Bonds1

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

O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine (PubChem CID 79424599) has the molecular formula C3H3BrN2OS and a molecular weight of 195.04 g/mol. Its IUPAC name is O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(4-bromo-1,3-thiazol-2-yl)hydroxylamine
PubChem CID79424599
Molecular FormulaC3H3BrN2OS
Molecular Weight195.04 g/mol
Exact Mass193.91
IUPAC NameO-(4-bromo-1,3-thiazol-2-yl)hydroxylamine
SMILESNOc1nc(Br)cs1
InChIInChI=1S/C3H3BrN2OS/c4-2-1-8-3(6-2)7-5/h1H,5H2
InChIKeyJSPJAIZQZYSPNB-UHFFFAOYSA-N
XLogP1.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.04
LogP ≤ 51.16
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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Related Compounds

2,4-Dibromo-1,3-thiazole
CID 2763297
4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-chlorothiazole
CID 11701210
4-Bromo-2-iodothiazole
CID 13662078
4-Bromo-1,3-thiazole-2-carbonitrile
CID 45787503
4-Bromo-2-fluoro-1,3-thiazole
CID 66521142
2,4-Dibromothiazole-5-d
CID 101438952
4-Bromo-1,3-thiazole-2-carbothialdehyde
CID 2763268
4-Bromo-2-(methoxy-d3)-thiazole
CID 45787506
CID 88247249
CID 88247249
CID 89112310
CID 89112310
CID 123554680
CID 123554680

Frequently Asked Questions

What is the IUPAC name of O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine?
The IUPAC name of O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine (CID 79424599) is O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine.
What is the SMILES notation for O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine?
The canonical SMILES for O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine is NOc1nc(Br)cs1.
What is the InChIKey of O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine?
The InChIKey is JSPJAIZQZYSPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2OS/c4-2-1-8-3(6-2)7-5/h1H,5H2.
What are the key properties of O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine?
O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine has a molecular weight of 195.04 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-bromo-1,3-thiazol-2-yl)hydroxylamine is sourced from PubChem (CID 79424599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).