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

C19H31F3N2S2Sn — CID 22632092

IUPACtributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(SC(F)(F)CF)c2s1
InChIInChI=1S/C7H4F3N2S2.3C4H9.Sn/c8-3-7(9,10)14-5-6-12(4-11-5)1-2-13-6;3*1-3-4-2;/h1,4H,3H2;3*1,3-4H2,2H3;
InChIKeyCCJHKKAZZZWSLM-UHFFFAOYSA-N
MW527.31 g/mol
LogP7.11
Rot. Bonds13

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

tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane (PubChem CID 22632092) has the molecular formula C19H31F3N2S2Sn and a molecular weight of 527.31 g/mol. Its IUPAC name is tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane
PubChem CID22632092
Molecular FormulaC19H31F3N2S2Sn
Molecular Weight527.31 g/mol
Exact Mass528.09
IUPAC Nametributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(SC(F)(F)CF)c2s1
InChIInChI=1S/C7H4F3N2S2.3C4H9.Sn/c8-3-7(9,10)14-5-6-12(4-11-5)1-2-13-6;3*1-3-4-2;/h1,4H,3H2;3*1,3-4H2,2H3;
InChIKeyCCJHKKAZZZWSLM-UHFFFAOYSA-N
XLogP7.11
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.31
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
The IUPAC name of tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane (CID 22632092) is tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane.
What is the SMILES notation for tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
The canonical SMILES for tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cn2cnc(SC(F)(F)CF)c2s1.
What is the InChIKey of tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
The InChIKey is CCJHKKAZZZWSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N2S2.3C4H9.Sn/c8-3-7(9,10)14-5-6-12(4-11-5)1-2-13-6;3*1-3-4-2;/h1,4H,3H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane?
tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane has a molecular weight of 527.31 g/mol, XLogP of 7.11, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[7-(1,1,2-trifluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-2-yl]stannane is sourced from PubChem (CID 22632092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).