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7113-02-2 molecular structure
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methyl 2-phenyl-1,3-thiazole-4-carboxylate

ChemBase ID: 811349
Molecular Formular: C11H9NO2S
Molecular Mass: 219.25966
Monoisotopic Mass: 219.03539953
SMILES and InChIs

SMILES:
s1c(nc(c1)C(=O)OC)c1ccccc1
Canonical SMILES:
COC(=O)c1csc(n1)c1ccccc1
InChI:
InChI=1S/C11H9NO2S/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey:
VGWOUTBYGICCLO-UHFFFAOYSA-N

Cite this record

CBID:811349 http://www.chembase.cn/molecule-811349.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-phenyl-1,3-thiazole-4-carboxylate
IUPAC Traditional name
methyl 2-phenyl-1,3-thiazole-4-carboxylate
Synonyms
2-PHENYLTHIAZOLE-4-CARBOXYLIC ACID METHYL ESTER
CAS Number
7113-02-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30663 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30663 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) 2.8461351  LogD (pH = 7.4) 2.846136 
Log P 2.846136  Molar Refractivity 68.0213 cm3
Polarizability 22.823385 Å3 Polar Surface Area 39.19 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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