tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate

C20H38N2O2SSn — CID 2763269

IUPACtert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C8H11N2O2S.3C4H9.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;3*1-3-4-2;/h4H,1-3H3,(H,9,10,11);3*1,3-4H2,2H3;
InChIKeyWBQYLGCBVADFPD-UHFFFAOYSA-N
MW489.31 g/mol
LogP6.55
Rot. Bonds11

About tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (PubChem CID 2763269) has the molecular formula C20H38N2O2SSn and a molecular weight of 489.31 g/mol. Its IUPAC name is tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
PubChem CID2763269
Molecular FormulaC20H38N2O2SSn
Molecular Weight489.31 g/mol
Exact Mass490.17
IUPAC Nametert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C8H11N2O2S.3C4H9.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;3*1-3-4-2;/h4H,1-3H3,(H,9,10,11);3*1,3-4H2,2H3;
InChIKeyWBQYLGCBVADFPD-UHFFFAOYSA-N
XLogP6.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.31
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate 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 tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (CID 2763269) is tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is CCCC[Sn](CCCC)(CCCC)c1cnc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is WBQYLGCBVADFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O2S.3C4H9.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;3*1-3-4-2;/h4H,1-3H3,(H,9,10,11);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 489.31 g/mol, XLogP of 6.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 2763269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).