tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane

C21H40N2SSn — CID 58266640

IUPACtributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(CN2CCCCC2)s1
InChIInChI=1S/C9H13N2S.3C4H9.Sn/c1-2-5-11(6-3-1)8-9-10-4-7-12-9;3*1-3-4-2;/h4H,1-3,5-6,8H2;3*1,3-4H2,2H3;
InChIKeyPGBLBPFHWRIUPD-UHFFFAOYSA-N
MW471.34 g/mol
LogP6.19
Rot. Bonds12

About tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane

tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane (PubChem CID 58266640) has the molecular formula C21H40N2SSn and a molecular weight of 471.34 g/mol. Its IUPAC name is tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane
PubChem CID58266640
Molecular FormulaC21H40N2SSn
Molecular Weight471.34 g/mol
Exact Mass472.19
IUPAC Nametributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(CN2CCCCC2)s1
InChIInChI=1S/C9H13N2S.3C4H9.Sn/c1-2-5-11(6-3-1)8-9-10-4-7-12-9;3*1-3-4-2;/h4H,1-3,5-6,8H2;3*1,3-4H2,2H3;
InChIKeyPGBLBPFHWRIUPD-UHFFFAOYSA-N
XLogP6.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane?
The IUPAC name of tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane (CID 58266640) is tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane.
What is the SMILES notation for tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane?
The canonical SMILES for tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cnc(CN2CCCCC2)s1.
What is the InChIKey of tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane?
The InChIKey is PGBLBPFHWRIUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2S.3C4H9.Sn/c1-2-5-11(6-3-1)8-9-10-4-7-12-9;3*1-3-4-2;/h4H,1-3,5-6,8H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane?
tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane has a molecular weight of 471.34 g/mol, XLogP of 6.19, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]stannane is sourced from PubChem (CID 58266640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).