tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane

C17H29ClN2SSn — CID 18359919

IUPACtributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(Cl)c2s1
InChIInChI=1S/C5H2ClN2S.3C4H9.Sn/c6-4-5-8(3-7-4)1-2-9-5;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKeyIBMVYTKLIJQFNE-UHFFFAOYSA-N
MW447.66 g/mol
LogP6.11
Rot. Bonds10

About tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane

tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane (PubChem CID 18359919) has the molecular formula C17H29ClN2SSn and a molecular weight of 447.66 g/mol. Its IUPAC name is tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane
PubChem CID18359919
Molecular FormulaC17H29ClN2SSn
Molecular Weight447.66 g/mol
Exact Mass448.08
IUPAC Nametributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(Cl)c2s1
InChIInChI=1S/C5H2ClN2S.3C4H9.Sn/c6-4-5-8(3-7-4)1-2-9-5;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKeyIBMVYTKLIJQFNE-UHFFFAOYSA-N
XLogP6.11
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.66
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane?
The IUPAC name of tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane (CID 18359919) is tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane.
What is the SMILES notation for tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane?
The canonical SMILES for tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cn2cnc(Cl)c2s1.
What is the InChIKey of tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane?
The InChIKey is IBMVYTKLIJQFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN2S.3C4H9.Sn/c6-4-5-8(3-7-4)1-2-9-5;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane?
tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane has a molecular weight of 447.66 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(7-chloroimidazo[5,1-b][1,3]thiazol-2-yl)stannane is sourced from PubChem (CID 18359919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).