1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone

C17H31NOSSn — CID 10409630

IUPAC1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C(C)=O)s1
InChIInChI=1S/C5H4NOS.3C4H9.Sn/c1-4(7)5-6-2-3-8-5;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyXNAMTDUGTVTIOO-UHFFFAOYSA-N
MW416.22 g/mol
LogP5.40
Rot. Bonds11

About 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone

1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone (PubChem CID 10409630) has the molecular formula C17H31NOSSn and a molecular weight of 416.22 g/mol. Its IUPAC name is 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone
PubChem CID10409630
Molecular FormulaC17H31NOSSn
Molecular Weight416.22 g/mol
Exact Mass417.11
IUPAC Name1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C(C)=O)s1
InChIInChI=1S/C5H4NOS.3C4H9.Sn/c1-4(7)5-6-2-3-8-5;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyXNAMTDUGTVTIOO-UHFFFAOYSA-N
XLogP5.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.22
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone (CID 10409630) is 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone is CCCC[Sn](CCCC)(CCCC)c1cnc(C(C)=O)s1.
What is the InChIKey of 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is XNAMTDUGTVTIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4NOS.3C4H9.Sn/c1-4(7)5-6-2-3-8-5;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;.
What are the key properties of 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone?
1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 416.22 g/mol, XLogP of 5.40, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tributylstannyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 10409630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).