dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane

C15H27F2NSSn — CID 144922933

IUPACdibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane
SMILESCCCC[Sn](CCC)(CCCC)c1csc(C(F)F)n1
InChIInChI=1S/C4H2F2NS.2C4H9.C3H7.Sn/c5-3(6)4-7-1-2-8-4;2*1-3-4-2;1-3-2;/h2-3H;2*1,3-4H2,2H3;1,3H2,2H3;
InChIKeyQMDAITWGUSEZTO-UHFFFAOYSA-N
MW410.16 g/mol
LogP5.75
Rot. Bonds10

About dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane

dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane (PubChem CID 144922933) has the molecular formula C15H27F2NSSn and a molecular weight of 410.16 g/mol. Its IUPAC name is dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane.

Molecular Properties

Compound Namedibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane
PubChem CID144922933
Molecular FormulaC15H27F2NSSn
Molecular Weight410.16 g/mol
Exact Mass411.09
IUPAC Namedibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane
SMILESCCCC[Sn](CCC)(CCCC)c1csc(C(F)F)n1
InChIInChI=1S/C4H2F2NS.2C4H9.C3H7.Sn/c5-3(6)4-7-1-2-8-4;2*1-3-4-2;1-3-2;/h2-3H;2*1,3-4H2,2H3;1,3H2,2H3;
InChIKeyQMDAITWGUSEZTO-UHFFFAOYSA-N
XLogP5.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.16
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane?
The IUPAC name of dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane (CID 144922933) is dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane.
What is the SMILES notation for dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane?
The canonical SMILES for dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane is CCCC[Sn](CCC)(CCCC)c1csc(C(F)F)n1.
What is the InChIKey of dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane?
The InChIKey is QMDAITWGUSEZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2NS.2C4H9.C3H7.Sn/c5-3(6)4-7-1-2-8-4;2*1-3-4-2;1-3-2;/h2-3H;2*1,3-4H2,2H3;1,3H2,2H3;.
What are the key properties of dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane?
dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane has a molecular weight of 410.16 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane is sourced from PubChem (CID 144922933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).