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

C14H25BrN2O3SSi — CID 134126758

IUPACtert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate
SMILESCC(C)(C)OC(=O)N(COCC[Si](C)(C)C)c1ncc(Br)s1
InChIInChI=1S/C14H25BrN2O3SSi/c1-14(2,3)20-13(18)17(12-16-9-11(15)21-12)10-19-7-8-22(4,5)6/h9H,7-8,10H2,1-6H3
InChIKeyMLNBOWYMQDLFDV-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.96
Rot. Bonds6

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

tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate (PubChem CID 134126758) has the molecular formula C14H25BrN2O3SSi and a molecular weight of 409.42 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate
PubChem CID134126758
Molecular FormulaC14H25BrN2O3SSi
Molecular Weight409.42 g/mol
Exact Mass408.05
IUPAC Nametert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate
SMILESCC(C)(C)OC(=O)N(COCC[Si](C)(C)C)c1ncc(Br)s1
InChIInChI=1S/C14H25BrN2O3SSi/c1-14(2,3)20-13(18)17(12-16-9-11(15)21-12)10-19-7-8-22(4,5)6/h9H,7-8,10H2,1-6H3
InChIKeyMLNBOWYMQDLFDV-UHFFFAOYSA-N
XLogP4.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate (CID 134126758) is tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate is CC(C)(C)OC(=O)N(COCC[Si](C)(C)C)c1ncc(Br)s1.
What is the InChIKey of tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate?
The InChIKey is MLNBOWYMQDLFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O3SSi/c1-14(2,3)20-13(18)17(12-16-9-11(15)21-12)10-19-7-8-22(4,5)6/h9H,7-8,10H2,1-6H3.
What are the key properties of tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate?
tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate has a molecular weight of 409.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-(2-trimethylsilylethoxymethyl)carbamate is sourced from PubChem (CID 134126758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).