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

C18H29F3N2S2Sn — CID 22632113

IUPACtributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(SC(F)(F)F)c2s1
InChIInChI=1S/C6H2F3N2S2.3C4H9.Sn/c7-6(8,9)13-4-5-11(3-10-4)1-2-12-5;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKeyZOKGJNSZJBYWHM-UHFFFAOYSA-N
MW513.28 g/mol
LogP7.06
Rot. Bonds11

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

tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane (PubChem CID 22632113) has the molecular formula C18H29F3N2S2Sn and a molecular weight of 513.28 g/mol. Its IUPAC name is tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane
PubChem CID22632113
Molecular FormulaC18H29F3N2S2Sn
Molecular Weight513.28 g/mol
Exact Mass514.07
IUPAC Nametributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(SC(F)(F)F)c2s1
InChIInChI=1S/C6H2F3N2S2.3C4H9.Sn/c7-6(8,9)13-4-5-11(3-10-4)1-2-12-5;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKeyZOKGJNSZJBYWHM-UHFFFAOYSA-N
XLogP7.06
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.28
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
The IUPAC name of tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane (CID 22632113) is tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane.
What is the SMILES notation for tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
The canonical SMILES for tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cn2cnc(SC(F)(F)F)c2s1.
What is the InChIKey of tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
The InChIKey is ZOKGJNSZJBYWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3N2S2.3C4H9.Sn/c7-6(8,9)13-4-5-11(3-10-4)1-2-12-5;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane has a molecular weight of 513.28 g/mol, XLogP of 7.06, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[7-(trifluoromethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane is sourced from PubChem (CID 22632113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).