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885279-24-3 molecular structure
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ethyl 2-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate

ChemBase ID: 810789
Molecular Formular: C14H15NO2S
Molecular Mass: 261.3394
Monoisotopic Mass: 261.08234973
SMILES and InChIs

SMILES:
s1c(nc(c1)C(=O)OCC)c1cc(c(cc1)C)C
Canonical SMILES:
CCOC(=O)c1csc(n1)c1ccc(c(c1)C)C
InChI:
InChI=1S/C14H15NO2S/c1-4-17-14(16)12-8-18-13(15-12)11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3
InChIKey:
AVTULVIPOUUFCN-UHFFFAOYSA-N

Cite this record

CBID:810789 http://www.chembase.cn/molecule-810789.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate
IUPAC Traditional name
ethyl 2-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate
Synonyms
2-(3,4-DIMETHYL-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
CAS Number
885279-24-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29742 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29742 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 4.229787  Log P 4.229787 
Molar Refractivity 82.8523 cm3 Polarizability 28.18718 Å3
Polar Surface Area 39.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 4.229786 

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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