methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate

C17H31NO2SSn — CID 46840006

IUPACmethyl 5-tributylstannyl-1,3-thiazole-2-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C(=O)OC)s1
InChIInChI=1S/C5H4NO2S.3C4H9.Sn/c1-8-5(7)4-6-2-3-9-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyJHKVNLPHUFCMGM-UHFFFAOYSA-N
MW432.22 g/mol
LogP4.99
Rot. Bonds11

About methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate

methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate (PubChem CID 46840006) has the molecular formula C17H31NO2SSn and a molecular weight of 432.22 g/mol. Its IUPAC name is methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-tributylstannyl-1,3-thiazole-2-carboxylate
PubChem CID46840006
Molecular FormulaC17H31NO2SSn
Molecular Weight432.22 g/mol
Exact Mass433.11
IUPAC Namemethyl 5-tributylstannyl-1,3-thiazole-2-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C(=O)OC)s1
InChIInChI=1S/C5H4NO2S.3C4H9.Sn/c1-8-5(7)4-6-2-3-9-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyJHKVNLPHUFCMGM-UHFFFAOYSA-N
XLogP4.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.22
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate (CID 46840006) is methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate is CCCC[Sn](CCCC)(CCCC)c1cnc(C(=O)OC)s1.
What is the InChIKey of methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate?
The InChIKey is JHKVNLPHUFCMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4NO2S.3C4H9.Sn/c1-8-5(7)4-6-2-3-9-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;.
What are the key properties of methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate?
methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate has a molecular weight of 432.22 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-tributylstannyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 46840006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).