2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole|2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole|2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole|2...

General Information

Structure

Molecular Formula

C₁₀H₁₆BNO₃S

Molecular Mass

241.11494

Exact Mass

241.09439478

Charge

InChI

InChI=1S/C10H16BNO3S/c1-9(2)10(3,4)15-11(14-9)7-6-12-8(13-5)16-7/h6H,1-5H3

InChIKey

NNPOTMMCXYMAPM-UHFFFAOYSA-N

Canonic Smiles

COc1ncc(s1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(c2sc(nc2)OC)OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.8319998

LogD (pH = 7.4)

2.832

Log P

2.832

Molar Refractivity

56.0179

Polarizability

24.363546

Polar Surface Area

40.58

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

IUPAC name

2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

Synonyms

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole2-METHOXYTHIAZOLE-5-BORONIC ACID PINACOL ESTER2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole2-Methoxy-1,3-thiazole-5-boronic acid, pinacol ester2-(2-Methoxythiazol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Names and Identifiers

Registration numbers

PubChem SID

162064274

PubChem CID

45785791

MDL Number

MFCD10688611

Registration numbers

Properties

Safety Information

Storage Warning