2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone

C19H29F3N2OSSn — CID 23449202

IUPAC2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(C(=O)C(F)(F)F)c2s1
InChIInChI=1S/C7H2F3N2OS.3C4H9.Sn/c8-7(9,10)5(13)4-6-12(3-11-4)1-2-14-6;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKeyHJGSKFRHBZWSHU-UHFFFAOYSA-N
MW509.23 g/mol
LogP6.20
Rot. Bonds11

About 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone

2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone (PubChem CID 23449202) has the molecular formula C19H29F3N2OSSn and a molecular weight of 509.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone
PubChem CID23449202
Molecular FormulaC19H29F3N2OSSn
Molecular Weight509.23 g/mol
Exact Mass510.10
IUPAC Name2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone
SMILESCCCC[Sn](CCCC)(CCCC)c1cn2cnc(C(=O)C(F)(F)F)c2s1
InChIInChI=1S/C7H2F3N2OS.3C4H9.Sn/c8-7(9,10)5(13)4-6-12(3-11-4)1-2-14-6;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKeyHJGSKFRHBZWSHU-UHFFFAOYSA-N
XLogP6.20
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.23
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone (CID 23449202) is 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone is CCCC[Sn](CCCC)(CCCC)c1cn2cnc(C(=O)C(F)(F)F)c2s1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone?
The InChIKey is HJGSKFRHBZWSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3N2OS.3C4H9.Sn/c8-7(9,10)5(13)4-6-12(3-11-4)1-2-14-6;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;.
What are the key properties of 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone?
2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone has a molecular weight of 509.23 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-tributylstannylimidazo[5,1-b][1,3]thiazol-7-yl)ethanone is sourced from PubChem (CID 23449202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).