tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate

C25H46N2O4SSn — CID 59380135

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H19N2O4S.3C4H9.Sn/c1-12(2,3)18-10(16)15(9-14-7-8-20-9)11(17)19-13(4,5)6;3*1-3-4-2;/h7H,1-6H3;3*1,3-4H2,2H3;
InChIKeyYEACTOPGBDFBSK-UHFFFAOYSA-N
MW589.43 g/mol
LogP7.88
Rot. Bonds11

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

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (PubChem CID 59380135) has the molecular formula C25H46N2O4SSn and a molecular weight of 589.43 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
PubChem CID59380135
Molecular FormulaC25H46N2O4SSn
Molecular Weight589.43 g/mol
Exact Mass590.22
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H19N2O4S.3C4H9.Sn/c1-12(2,3)18-10(16)15(9-14-7-8-20-9)11(17)19-13(4,5)6;3*1-3-4-2;/h7H,1-6H3;3*1,3-4H2,2H3;
InChIKeyYEACTOPGBDFBSK-UHFFFAOYSA-N
XLogP7.88
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.43
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate with MolForge

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Related Compounds

tert-butyl 3-(methoxymethoxy)-3-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 67003644
dibutyl-(2-methyl-1,3-thiazol-5-yl)-propylstannane
CID 145083761
propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
CID 44630562
tert-butyl N-methyl-N-(1-methyl-5-tributylstannylpyrazol-3-yl)carbamate
CID 155641247
tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane
CID 69434687
tert-butyl N-[4-(butylamino)-5-hydroxypyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 70856127
tert-butyl N-methyl-N-[1-(2-methyl-5-tributylstannyltriazol-4-yl)ethyl]carbamate
CID 172615950
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-[5-(bromomethyl)-1,3-benzothiazol-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171618455
tert-butyl N-(6-hexyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 15457951
tert-butyl N-(5-chloro-4-formylpyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 123547852

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (CID 59380135) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is CCCC[Sn](CCCC)(CCCC)c1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is YEACTOPGBDFBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O4S.3C4H9.Sn/c1-12(2,3)18-10(16)15(9-14-7-8-20-9)11(17)19-13(4,5)6;3*1-3-4-2;/h7H,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 589.43 g/mol, XLogP of 7.88, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 59380135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).