2-amino-5-bromo-1,3-thiazol-4-one

C3H3BrN2OS — CID 135339924

IUPAC2-amino-5-bromo-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Br)S1
InChIInChI=1S/C3H3BrN2OS/c4-1-2(7)6-3(5)8-1/h1H,(H2,5,6,7)
InChIKeyMZLWPDOIIBEUKB-UHFFFAOYSA-N
MW195.04 g/mol
LogP0.30
Rot. Bonds

About 2-amino-5-bromo-1,3-thiazol-4-one

2-amino-5-bromo-1,3-thiazol-4-one (PubChem CID 135339924) has the molecular formula C3H3BrN2OS and a molecular weight of 195.04 g/mol. Its IUPAC name is 2-amino-5-bromo-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-bromo-1,3-thiazol-4-one
PubChem CID135339924
Molecular FormulaC3H3BrN2OS
Molecular Weight195.04 g/mol
Exact Mass193.91
IUPAC Name2-amino-5-bromo-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Br)S1
InChIInChI=1S/C3H3BrN2OS/c4-1-2(7)6-3(5)8-1/h1H,(H2,5,6,7)
InChIKeyMZLWPDOIIBEUKB-UHFFFAOYSA-N
XLogP0.30
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.04
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-bromo-1,3-thiazol-4-one (CID 135339924) is 2-amino-5-bromo-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-bromo-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-bromo-1,3-thiazol-4-one is NC1=NC(=O)C(Br)S1.
What is the InChIKey of 2-amino-5-bromo-1,3-thiazol-4-one?
The InChIKey is MZLWPDOIIBEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2OS/c4-1-2(7)6-3(5)8-1/h1H,(H2,5,6,7).
What are the key properties of 2-amino-5-bromo-1,3-thiazol-4-one?
2-amino-5-bromo-1,3-thiazol-4-one has a molecular weight of 195.04 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-1,3-thiazol-4-one is sourced from PubChem (CID 135339924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).