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MFCD02180666 molecular structure
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2-(4-phenyl-1,3-thiazol-2-yl)acetamide

ChemBase ID: 91962
Molecular Formular: C11H10N2OS
Molecular Mass: 218.2749
Monoisotopic Mass: 218.05138395
SMILES and InChIs

SMILES:
n1c(scc1c1ccccc1)CC(=O)N
Canonical SMILES:
NC(=O)Cc1scc(n1)c1ccccc1
InChI:
InChI=1S/C11H10N2OS/c12-10(14)6-11-13-9(7-15-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,14)
InChIKey:
MITSOTISLAVGFW-UHFFFAOYSA-N

Cite this record

CBID:91962 http://www.chembase.cn/molecule-91962.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-phenyl-1,3-thiazol-2-yl)acetamide
IUPAC Traditional name
2-(4-phenyl-1,3-thiazol-2-yl)acetamide
Synonyms
2-(4-Phenylthiazol-2-yl)acetamide 97%
MDL Number
MFCD02180666
PubChem SID
162078660
PubChem CID
712446

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR8145 external link Add to cart Please log in.
Data Source Data ID
PubChem 712446 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.864939  H Acceptors
H Donor LogD (pH = 5.5) 1.8734397 
LogD (pH = 7.4) 1.8734646  Log P 1.8734648 
Molar Refractivity 58.6376 cm3 Polarizability 23.938328 Å3
Polar Surface Area 55.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
193-194°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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