2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

C5H4BrFN2OS — CID 156703962

IUPAC2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CBr)Nc1ncc(F)s1
InChIInChI=1S/C5H4BrFN2OS/c6-1-4(10)9-5-8-2-3(7)11-5/h2H,1H2,(H,8,9,10)
InChIKeyFAOGLUZSMNRNOH-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.62
Rot. Bonds2

About 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (PubChem CID 156703962) has the molecular formula C5H4BrFN2OS and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
PubChem CID156703962
Molecular FormulaC5H4BrFN2OS
Molecular Weight239.07 g/mol
Exact Mass237.92
IUPAC Name2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(CBr)Nc1ncc(F)s1
InChIInChI=1S/C5H4BrFN2OS/c6-1-4(10)9-5-8-2-3(7)11-5/h2H,1H2,(H,8,9,10)
InChIKeyFAOGLUZSMNRNOH-UHFFFAOYSA-N
XLogP1.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-5-bromo-1,3-thiazole
CID 350260
N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide
CID 2392313
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 11173072
N-(5-Bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 54595974
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide
CID 130671528
N-(5-fluorothiazol-2-yl)acetamide
CID 45121693
2-Bromo-N-(1,3-thiazol-2-yl)acetamide
CID 304576
2-Acetamino-5-thiocyanatothiazole
CID 15346341
S-(2-(Acetylamino)-5-thiazolyl) ethanethioate
CID 22481077
2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 58878121
N-(5-Bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 21094191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (CID 156703962) is 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is O=C(CBr)Nc1ncc(F)s1.
What is the InChIKey of 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The InChIKey is FAOGLUZSMNRNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2OS/c6-1-4(10)9-5-8-2-3(7)11-5/h2H,1H2,(H,8,9,10).
What are the key properties of 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide has a molecular weight of 239.07 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 156703962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).