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162104230 molecular structure
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2-chloro-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

ChemBase ID: 72444
Molecular Formular: C11H9ClN2OS
Molecular Mass: 252.71996
Monoisotopic Mass: 252.0124116
SMILES and InChIs

SMILES:
N(C(=O)C(c1ccccc1)Cl)c1nccs1
Canonical SMILES:
O=C(C(c1ccccc1)Cl)Nc1nccs1
InChI:
InChI=1S/C11H9ClN2OS/c12-9(8-4-2-1-3-5-8)10(15)14-11-13-6-7-16-11/h1-7,9H,(H,13,14,15)
InChIKey:
BDBCWILLJCUQQW-UHFFFAOYSA-N

Cite this record

CBID:72444 http://www.chembase.cn/molecule-72444.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
IUPAC Traditional name
2-chloro-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
Synonyms
2-Chloro-2-phenyl-N-1,3-thiazol-2-ylacetamide
PubChem SID
162104230
PubChem CID
13928785

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 13928785 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.525848  H Acceptors
H Donor LogD (pH = 5.5) 3.0277672 
LogD (pH = 7.4) 3.0274634  Log P 3.0277722 
Molar Refractivity 64.7138 cm3 Polarizability 24.456993 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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