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57332-73-7 molecular structure
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ethyl 2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetate

ChemBase ID: 228777
Molecular Formular: C9H10N2O2S
Molecular Mass: 210.2529
Monoisotopic Mass: 210.04629857
SMILES and InChIs

SMILES:
c12nc(cn1ccs2)CC(=O)OCC
Canonical SMILES:
CCOC(=O)Cc1cn2c(n1)scc2
InChI:
InChI=1S/C9H10N2O2S/c1-2-13-8(12)5-7-6-11-3-4-14-9(11)10-7/h3-4,6H,2,5H2,1H3
InChIKey:
DSVFDEWSKWCGEY-UHFFFAOYSA-N

Cite this record

CBID:228777 http://www.chembase.cn/molecule-228777.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetate
IUPAC Traditional name
ethyl 2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetate
Synonyms
Imidazo[2,1-b]thiazol-6-yl-acetic acid ethyl ester
CAS Number
57332-73-7
MDL Number
MFCD00225160
PubChem SID
164284687
PubChem CID
853574

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-00710 external link Add to cart Please log in.
Data Source Data ID
PubChem 853574 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2354679  LogD (pH = 7.4) 1.248136 
Log P 1.2483  Molar Refractivity 63.9657 cm3
Polarizability 20.171001 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.174 expand Show data source
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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