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1196157-37-5 molecular structure
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ethyl 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ChemBase ID: 814159
Molecular Formular: C8H8F3NO3S
Molecular Mass: 255.2142296
Monoisotopic Mass: 255.01769878
SMILES and InChIs

SMILES:
s1c(nc(c1C(=O)OCC)C(F)(F)F)OC
Canonical SMILES:
CCOC(=O)c1sc(nc1C(F)(F)F)OC
InChI:
InChI=1S/C8H8F3NO3S/c1-3-15-6(13)4-5(8(9,10)11)12-7(14-2)16-4/h3H2,1-2H3
InChIKey:
BSDCFUDWPRZASD-UHFFFAOYSA-N

Cite this record

CBID:814159 http://www.chembase.cn/molecule-814159.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
IUPAC Traditional name
ethyl 2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Synonyms
ethyl 2-methoxy-4-(trifluoromethyl)thiazole-5-carboxylate
CAS Number
1196157-37-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36304 external link Add to cart
Data Source Data ID Price
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AJA-O36304 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9150405  LogD (pH = 7.4) 2.9150405 
Log P 2.9150405  Molar Refractivity 49.3626 cm3
Polarizability 18.573845 Å3 Polar Surface Area 48.42 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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