tributyl-(2-chloro-1,3-thiazol-5-yl)stannane

C15H28ClNSSn — CID 11654421

IUPACtributyl-(2-chloro-1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(Cl)s1
InChIInChI=1S/3C4H9.C3HClNS.Sn/c3*1-3-4-2;4-3-5-1-2-6-3;/h3*1,3-4H2,2H3;1H;
InChIKeyZXCCAZVZCUGOQU-UHFFFAOYSA-N
MW408.63 g/mol
LogP5.85
Rot. Bonds10

About tributyl-(2-chloro-1,3-thiazol-5-yl)stannane

tributyl-(2-chloro-1,3-thiazol-5-yl)stannane (PubChem CID 11654421) has the molecular formula C15H28ClNSSn and a molecular weight of 408.63 g/mol. Its IUPAC name is tributyl-(2-chloro-1,3-thiazol-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-chloro-1,3-thiazol-5-yl)stannane
PubChem CID11654421
Molecular FormulaC15H28ClNSSn
Molecular Weight408.63 g/mol
Exact Mass409.07
IUPAC Nametributyl-(2-chloro-1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(Cl)s1
InChIInChI=1S/3C4H9.C3HClNS.Sn/c3*1-3-4-2;4-3-5-1-2-6-3;/h3*1,3-4H2,2H3;1H;
InChIKeyZXCCAZVZCUGOQU-UHFFFAOYSA-N
XLogP5.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tributyl-(2-chloro-1,3-thiazol-5-yl)stannane 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 tributyl-(2-chloro-1,3-thiazol-5-yl)stannane?
The IUPAC name of tributyl-(2-chloro-1,3-thiazol-5-yl)stannane (CID 11654421) is tributyl-(2-chloro-1,3-thiazol-5-yl)stannane.
What is the SMILES notation for tributyl-(2-chloro-1,3-thiazol-5-yl)stannane?
The canonical SMILES for tributyl-(2-chloro-1,3-thiazol-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cnc(Cl)s1.
What is the InChIKey of tributyl-(2-chloro-1,3-thiazol-5-yl)stannane?
The InChIKey is ZXCCAZVZCUGOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3HClNS.Sn/c3*1-3-4-2;4-3-5-1-2-6-3;/h3*1,3-4H2,2H3;1H;.
What are the key properties of tributyl-(2-chloro-1,3-thiazol-5-yl)stannane?
tributyl-(2-chloro-1,3-thiazol-5-yl)stannane has a molecular weight of 408.63 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-chloro-1,3-thiazol-5-yl)stannane is sourced from PubChem (CID 11654421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).