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

C21H40N2O2SSn — CID 139270918

IUPACtert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C9H13N2O2S.3C4H9.Sn/c1-6-5-14-7(10-6)11-8(12)13-9(2,3)4;3*1-3-4-2;/h1-4H3,(H,10,11,12);3*1,3-4H2,2H3;
InChIKeyGCIRFFVGFDKHDC-UHFFFAOYSA-N
MW503.34 g/mol
LogP6.85
Rot. Bonds11

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

tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate (PubChem CID 139270918) has the molecular formula C21H40N2O2SSn and a molecular weight of 503.34 g/mol. Its IUPAC name is tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate
PubChem CID139270918
Molecular FormulaC21H40N2O2SSn
Molecular Weight503.34 g/mol
Exact Mass504.18
IUPAC Nametert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C9H13N2O2S.3C4H9.Sn/c1-6-5-14-7(10-6)11-8(12)13-9(2,3)4;3*1-3-4-2;/h1-4H3,(H,10,11,12);3*1,3-4H2,2H3;
InChIKeyGCIRFFVGFDKHDC-UHFFFAOYSA-N
XLogP6.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.34
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117839
tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 133620106
Tert-butyl (5-fluoro-4-methylthiazol-2-yl)carbamate
CID 45117835
tert-Butyl (4-(difluoromethyl)thiazol-2-yl)carbamate
CID 45117843
(4-Chloromethyl-5-fluoro-thiazol-2-yl)-carbamic acid tert-butyl ester
CID 59570820
t-Butyl [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 59570990
tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate
CID 151355104
tert-butyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 156815064
tert-Butyl (5-bromo-4-(trifluoromethyl)thiazol-2-yl)carbamate
CID 167193060
tert-butyl N-[5-[dibutyl(propyl)stannyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-methylcarbamate
CID 172842903
tert-butyl N-[5-(fluorosulfonyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 165701019
tert-butyl N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 165921596

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate (CID 139270918) is tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate is CCCC[Sn](CCCC)(CCCC)c1sc(NC(=O)OC(C)(C)C)nc1C.
What is the InChIKey of tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is GCIRFFVGFDKHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O2S.3C4H9.Sn/c1-6-5-14-7(10-6)11-8(12)13-9(2,3)4;3*1-3-4-2;/h1-4H3,(H,10,11,12);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 503.34 g/mol, XLogP of 6.85, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methyl-5-tributylstannyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 139270918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).