CAS 243972-26-1|tert-butyl N-[5-(tributylstannyl)-1,3-thiazol-2-yl]carbamate|2-(N-Boc)-5-(tributylstannyl)thiazole|tert-butyl N-[5-(tributylstannyl)-1,3-thiazol-2-yl]carbamate|{2-[(tert-Butoxycarbon...

General Information

Structure

Molecular Formula

C₂₀H₃₈N₂O₂SSn

Molecular Mass

489.29392

Exact Mass

490.16759347

Charge

InChI

InChI=1S/C8H11N2O2S.3C4H9.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;3*1-3-4-2;/h4H,1-3H3,(H,9,10,11);3*1,3-4H2,2H3;

InChIKey

WBQYLGCBVADFPD-UHFFFAOYSA-N

Canonic Smiles

CCCC[Sn](c1cnc(s1)NC(=O)OC(C)(C)C)(CCCC)CCCC

Isomeric Smiles

s1c(ncc1[Sn](CCCC)(CCCC)CCCC)NC(=O)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

12.132428

H Acceptors

H Donor

LogD (pH = 5.5)

5.0996413

LogD (pH = 7.4)

5.09979

Log P

5.0998

Molar Refractivity

108.0238

Polarizability

46.740776

Polar Surface Area

51.22

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC name

tert-butyl N-[5-(tributylstannyl)-1,3-thiazol-2-yl]carbamate

Synonyms

2-(N-Boc)-5-(tributylstannyl)thiazoletert-Butyl [5-(tributylstannyl)-1,3-thiazol-2-yl]carbamate2-Amino-5-(tributylstannyl)-1,3-thiazole, 2-BOC protected{2-[(tert-Butoxycarbonyl)amino]-1,3-thiazol-5-yl}tributylstannanetert-Butyl-5-(tributylstannyl)thiazol-2-ylcarbamate2-(N-Boc-amino)-5-(tributylstannyl)thiazole

IUPAC Traditional name

tert-butyl N-[5-(tributylstannyl)-1,3-thiazol-2-yl]carbamate

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID