tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane

C17H33NOSSn — CID 2763265

IUPACtributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(OCC)n1
InChIInChI=1S/C5H6NOS.3C4H9.Sn/c1-2-7-5-6-3-4-8-5;3*1-3-4-2;/h4H,2H2,1H3;3*1,3-4H2,2H3;
InChIKeyNBICALVSSSYBKT-UHFFFAOYSA-N
MW418.24 g/mol
LogP5.60
Rot. Bonds12

About tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane

tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane (PubChem CID 2763265) has the molecular formula C17H33NOSSn and a molecular weight of 418.24 g/mol. Its IUPAC name is tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane
PubChem CID2763265
Molecular FormulaC17H33NOSSn
Molecular Weight418.24 g/mol
Exact Mass419.13
IUPAC Nametributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(OCC)n1
InChIInChI=1S/C5H6NOS.3C4H9.Sn/c1-2-7-5-6-3-4-8-5;3*1-3-4-2;/h4H,2H2,1H3;3*1,3-4H2,2H3;
InChIKeyNBICALVSSSYBKT-UHFFFAOYSA-N
XLogP5.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.24
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-(tributylstannyl)-1,3-thiazole
CID 16427137
(4-Tributylstannyl-1,3-thiazol-2-yl)methanol
CID 11811539
(2-Methoxy-1,3-thiazol-4-yl)-trimethylstannane
CID 18624221
2-Methoxy-4-(tributylstannyl)thiazole
CID 2763264
4-Fluoro-2-propan-2-yloxy-1,3-thiazole
CID 59139464
2-(Methylthio)-4-(tributylstannyl)thiazole
CID 46840003
Tributyl-[2-(methoxymethyl)-1,3-thiazol-4-yl]stannane
CID 60099285
Oxirane;tributyl(1,3-thiazol-4-yl)stannane
CID 87293321
Butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin
CID 142340805
2-Ethoxy-4-iodo-1,3-thiazole
CID 143750870
(2-Methoxy-1,3-thiazol-4-yl)-lambda2-stannane
CID 147024682
(2-Ethoxy-1,3-thiazol-4-yl)-lambda2-stannane
CID 147183494

Frequently Asked Questions

What is the IUPAC name of tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane?
The IUPAC name of tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane (CID 2763265) is tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane.
What is the SMILES notation for tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane?
The canonical SMILES for tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1csc(OCC)n1.
What is the InChIKey of tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane?
The InChIKey is NBICALVSSSYBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NOS.3C4H9.Sn/c1-2-7-5-6-3-4-8-5;3*1-3-4-2;/h4H,2H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane?
tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane has a molecular weight of 418.24 g/mol, XLogP of 5.60, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-ethoxy-1,3-thiazol-4-yl)stannane is sourced from PubChem (CID 2763265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).