2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide

C5H5BrN4O2S — CID 57303254

IUPAC2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide
SMILESNC(=O)C(=NO)c1nc(N)sc1Br
InChIInChI=1S/C5H5BrN4O2S/c6-3-1(9-5(8)13-3)2(10-12)4(7)11/h12H,(H2,7,11)(H2,8,9)
InChIKeyIJKCECJSWXBVSI-UHFFFAOYSA-N
MW265.09 g/mol
LogP0.15
Rot. Bonds2

About 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide

2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide (PubChem CID 57303254) has the molecular formula C5H5BrN4O2S and a molecular weight of 265.09 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide
PubChem CID57303254
Molecular FormulaC5H5BrN4O2S
Molecular Weight265.09 g/mol
Exact Mass263.93
IUPAC Name2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide
SMILESNC(=O)C(=NO)c1nc(N)sc1Br
InChIInChI=1S/C5H5BrN4O2S/c6-3-1(9-5(8)13-3)2(10-12)4(7)11/h12H,(H2,7,11)(H2,8,9)
InChIKeyIJKCECJSWXBVSI-UHFFFAOYSA-N
XLogP0.15
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide 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 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide?
The IUPAC name of 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide (CID 57303254) is 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide.
What is the SMILES notation for 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide?
The canonical SMILES for 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide is NC(=O)C(=NO)c1nc(N)sc1Br.
What is the InChIKey of 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide?
The InChIKey is IJKCECJSWXBVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN4O2S/c6-3-1(9-5(8)13-3)2(10-12)4(7)11/h12H,(H2,7,11)(H2,8,9).
What are the key properties of 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide?
2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide has a molecular weight of 265.09 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 57303254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).