dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane

C16H31NSSn — CID 155728954

IUPACdibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCC(C)C)c1cncs1
InChIInChI=1S/C5H11.2C4H9.C3H2NS.Sn/c1-4-5(2)3;2*1-3-4-2;1-2-5-3-4-1;/h5H,1,4H2,2-3H3;2*1,3-4H2,2H3;1,3H;
InChIKeySIQUWZVQGPVLKL-UHFFFAOYSA-N
MW388.21 g/mol
LogP5.45
Rot. Bonds10

About dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane

dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane (PubChem CID 155728954) has the molecular formula C16H31NSSn and a molecular weight of 388.21 g/mol. Its IUPAC name is dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane.

Molecular Properties

Compound Namedibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane
PubChem CID155728954
Molecular FormulaC16H31NSSn
Molecular Weight388.21 g/mol
Exact Mass389.12
IUPAC Namedibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCC(C)C)c1cncs1
InChIInChI=1S/C5H11.2C4H9.C3H2NS.Sn/c1-4-5(2)3;2*1-3-4-2;1-2-5-3-4-1;/h5H,1,4H2,2-3H3;2*1,3-4H2,2H3;1,3H;
InChIKeySIQUWZVQGPVLKL-UHFFFAOYSA-N
XLogP5.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.21
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dibutyl-(2-methyl-1,3-thiazol-5-yl)-propylstannane
CID 145083761
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
tributyl-(1-propan-2-ylpyrazol-4-yl)stannane
CID 58266758
1-(1,3-thiazol-5-yl)hexylhydrazine
CID 105253890
tributyl-[5-(2-butyloctyl)thiophen-2-yl]stannane
CID 140776373
N-(1,3-thiazol-5-ylmethyl)heptan-3-amine
CID 104585423
1-(1,3-thiazol-5-yl)octylhydrazine
CID 105253705
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
CID 62759038
tributyl-(5-dodecylthiophen-2-yl)stannane
CID 68652035
tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
CID 139255137
1,3-benzothiazol-5-yl(tributyl)stannane
CID 151446797
mercury;2-methylheptane
CID 175108338

Frequently Asked Questions

What is the IUPAC name of dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane?
The IUPAC name of dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane (CID 155728954) is dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane.
What is the SMILES notation for dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane?
The canonical SMILES for dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane is CCCC[Sn](CCCC)(CCC(C)C)c1cncs1.
What is the InChIKey of dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane?
The InChIKey is SIQUWZVQGPVLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.2C4H9.C3H2NS.Sn/c1-4-5(2)3;2*1-3-4-2;1-2-5-3-4-1;/h5H,1,4H2,2-3H3;2*1,3-4H2,2H3;1,3H;.
What are the key properties of dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane?
dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane has a molecular weight of 388.21 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(3-methylbutyl)-(1,3-thiazol-5-yl)stannane is sourced from PubChem (CID 155728954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).