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1267904-60-8 molecular structure
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N-(5-bromo-4-ethyl-1,3-thiazol-2-yl)acetamide

ChemBase ID: 290379
Molecular Formular: C7H9BrN2OS
Molecular Mass: 249.12816
Monoisotopic Mass: 247.96189592
SMILES and InChIs

SMILES:
CC(=O)Nc1nc(CC)c(Br)s1
Canonical SMILES:
CCc1nc(sc1Br)NC(=O)C
InChI:
InChI=1S/C7H9BrN2OS/c1-3-5-6(8)12-7(10-5)9-4(2)11/h3H2,1-2H3,(H,9,10,11)
InChIKey:
LODCKIISMKDQFH-UHFFFAOYSA-N

Cite this record

CBID:290379 http://www.chembase.cn/molecule-290379.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(5-bromo-4-ethyl-1,3-thiazol-2-yl)acetamide
IUPAC Traditional name
N-(5-bromo-4-ethyl-1,3-thiazol-2-yl)acetamide
Synonyms
N-(5-Bromo-4-ethylthiazol-2-yl)acetamide
CAS Number
1267904-60-8
PubChem SID
180675910
PubChem CID
54759077

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229437 Please log in.
Data Source Data ID
PubChem 54759077 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.770196  H Acceptors
H Donor LogD (pH = 5.5) 2.3206513 
LogD (pH = 7.4) 2.3204777  Log P 2.3206537 
Molar Refractivity 51.6038 cm3 Polarizability 19.674295 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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