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1218791-01-5 molecular structure
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2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

ChemBase ID: 246817
Molecular Formular: C10H16BNO2S
Molecular Mass: 225.11554
Monoisotopic Mass: 225.09948016
SMILES and InChIs

SMILES:
B1(c2sc(nc2)C)OC(C(O1)(C)C)(C)C
Canonical SMILES:
Cc1ncc(s1)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C10H16BNO2S/c1-7-12-6-8(15-7)11-13-9(2,3)10(4,5)14-11/h6H,1-5H3
InChIKey:
QXMZPGMBRRZCDV-UHFFFAOYSA-N

Cite this record

CBID:246817 http://www.chembase.cn/molecule-246817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
IUPAC Traditional name
2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Synonyms
2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
2-METHYLTHIAZOLE-5-BORONIC ACID PINACOL ESTER
CAS Number
1218791-01-5
MDL Number
MFCD10697442
PubChem SID
164302727
PubChem CID
45785829

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45785829 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4577856  LogD (pH = 7.4) 2.4579973 
Log P 2.458  Molar Refractivity 54.5221 cm3
Polarizability 23.562757 Å3 Polar Surface Area 31.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.513 expand Show data source
Purity
95% expand Show data source
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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