N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide

C18H34N2OSSn — CID 164731146

IUPACN-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(C)C(C)=O)s1
InChIInChI=1S/C6H7N2OS.3C4H9.Sn/c1-5(9)8(2)6-7-3-4-10-6;3*1-3-4-2;/h3H,1-2H3;3*1,3-4H2,2H3;
InChIKeyLKWFGJNDQSOHEM-UHFFFAOYSA-N
MW445.26 g/mol
LogP5.18
Rot. Bonds11

About N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide

N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide (PubChem CID 164731146) has the molecular formula C18H34N2OSSn and a molecular weight of 445.26 g/mol. Its IUPAC name is N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide
PubChem CID164731146
Molecular FormulaC18H34N2OSSn
Molecular Weight445.26 g/mol
Exact Mass446.14
IUPAC NameN-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(C)C(C)=O)s1
InChIInChI=1S/C6H7N2OS.3C4H9.Sn/c1-5(9)8(2)6-7-3-4-10-6;3*1-3-4-2;/h3H,1-2H3;3*1,3-4H2,2H3;
InChIKeyLKWFGJNDQSOHEM-UHFFFAOYSA-N
XLogP5.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.26
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide (CID 164731146) is N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide is CCCC[Sn](CCCC)(CCCC)c1cnc(N(C)C(C)=O)s1.
What is the InChIKey of N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LKWFGJNDQSOHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2OS.3C4H9.Sn/c1-5(9)8(2)6-7-3-4-10-6;3*1-3-4-2;/h3H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide?
N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 445.26 g/mol, XLogP of 5.18, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 164731146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).