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

C19H33FN2S2Sn — CID 22631742

IUPACtributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(SCCF)c2s1
InChIInChI=1S/C7H6FN2S2.3C4H9.Sn/c8-1-3-11-6-7-10(5-9-6)2-4-12-7;3*1-3-4-2;/h2,5H,1,3H2;3*1,3-4H2,2H3;
InChIKeyLQTQNTPWOSCJHC-UHFFFAOYSA-N
MW491.33 g/mol
LogP6.51
Rot. Bonds13

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

tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane (PubChem CID 22631742) has the molecular formula C19H33FN2S2Sn and a molecular weight of 491.33 g/mol. Its IUPAC name is tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane
PubChem CID22631742
Molecular FormulaC19H33FN2S2Sn
Molecular Weight491.33 g/mol
Exact Mass492.11
IUPAC Nametributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(SCCF)c2s1
InChIInChI=1S/C7H6FN2S2.3C4H9.Sn/c8-1-3-11-6-7-10(5-9-6)2-4-12-7;3*1-3-4-2;/h2,5H,1,3H2;3*1,3-4H2,2H3;
InChIKeyLQTQNTPWOSCJHC-UHFFFAOYSA-N
XLogP6.51
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.33
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
The IUPAC name of tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane (CID 22631742) is tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane.
What is the SMILES notation for tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
The canonical SMILES for tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cn2cnc(SCCF)c2s1.
What is the InChIKey of tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
The InChIKey is LQTQNTPWOSCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN2S2.3C4H9.Sn/c8-1-3-11-6-7-10(5-9-6)2-4-12-7;3*1-3-4-2;/h2,5H,1,3H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane has a molecular weight of 491.33 g/mol, XLogP of 6.51, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane is sourced from PubChem (CID 22631742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).