tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate

C22H42N2O2SSn — CID 90176956

IUPACtert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1sc(N(C)C(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C10H15N2O2S.3C4H9.Sn/c1-7-6-15-8(11-7)12(5)9(13)14-10(2,3)4;3*1-3-4-2;/h1-5H3;3*1,3-4H2,2H3;
InChIKeyQJVBRFUUHSRJSS-UHFFFAOYSA-N
MW517.37 g/mol
LogP6.88
Rot. Bonds11

About tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate (PubChem CID 90176956) has the molecular formula C22H42N2O2SSn and a molecular weight of 517.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate
PubChem CID90176956
Molecular FormulaC22H42N2O2SSn
Molecular Weight517.37 g/mol
Exact Mass518.20
IUPAC Nametert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1sc(N(C)C(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C10H15N2O2S.3C4H9.Sn/c1-7-6-15-8(11-7)12(5)9(13)14-10(2,3)4;3*1-3-4-2;/h1-5H3;3*1,3-4H2,2H3;
InChIKeyQJVBRFUUHSRJSS-UHFFFAOYSA-N
XLogP6.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.37
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl (5-bromo-4-(trifluoromethyl)thiazol-2-yl)(methyl)carbamate
CID 168445284
tert-butyl N-[5-[dibutyl(propyl)stannyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylcarbamate
CID 172842903
N,N-bis(tert-butyloxycarbonyl)-5-bromo-4-methylthiazol-2-ylamine
CID 59375152
tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 69150108
tert-butyl N-methyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 71561540
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 129973622
tert-Butyl (4-methyl-5-(tributylstannyl)thiazol-2-yl)carbamate
CID 139270918
Methyl-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamic acid
CID 140283899
tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate
CID 142043037
tert-butyl N-[4-(2-iodosulfanylethynyl)-1,3-thiazol-2-yl]-N-methylcarbamate
CID 155462676
tert-Butyl (tert-butoxycarbonyl)(5-iodo-4-methylthiazol-2-yl)carbamate
CID 163292177
tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate
CID 166661288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate (CID 90176956) is tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate is CCCC[Sn](CCCC)(CCCC)c1sc(N(C)C(=O)OC(C)(C)C)nc1C.
What is the InChIKey of tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is QJVBRFUUHSRJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O2S.3C4H9.Sn/c1-7-6-15-8(11-7)12(5)9(13)14-10(2,3)4;3*1-3-4-2;/h1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 517.37 g/mol, XLogP of 6.88, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 90176956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).