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145300-45-4 molecular structure
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N-[4-(1,3-thiazolidin-2-yl)phenyl]acetamide

ChemBase ID: 44324
Molecular Formular: C11H14N2OS
Molecular Mass: 222.30666
Monoisotopic Mass: 222.08268408
SMILES and InChIs

SMILES:
C1(NCCS1)c1ccc(NC(=O)C)cc1
Canonical SMILES:
CC(=O)Nc1ccc(cc1)C1NCCS1
InChI:
InChI=1S/C11H14N2OS/c1-8(14)13-10-4-2-9(3-5-10)11-12-6-7-15-11/h2-5,11-12H,6-7H2,1H3,(H,13,14)
InChIKey:
UTUASLMFNMSSIQ-UHFFFAOYSA-N

Cite this record

CBID:44324 http://www.chembase.cn/molecule-44324.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(1,3-thiazolidin-2-yl)phenyl]acetamide
IUPAC Traditional name
N-[4-(1,3-thiazolidin-2-yl)phenyl]acetamide
Synonyms
N-[4-(1,3-Thiazolan-2-yl)phenyl]acetamide
N-[4-(1,3-Thiazolan-2-yl)phenyl]acetamide
4-(1,3-Thiazolidin-2-yl)acetanilide
CAS Number
145300-45-4
MDL Number
MFCD09027147
PubChem SID
162049087
PubChem CID
18526241

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18526241 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.350194  H Acceptors
H Donor LogD (pH = 5.5) -0.995563 
LogD (pH = 7.4) 0.72652274  Log P 1.3279884 
Molar Refractivity 64.3045 cm3 Polarizability 24.591492 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
156 - 158 °C expand Show data source
156-158°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
>97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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