tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate

C17H30N2O4SSi — CID 162413460

IUPACtert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate
SMILESCC[Si](CC)(CC)OCc1nc(C(=O)CNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C17H30N2O4SSi/c1-7-25(8-2,9-3)22-11-15-19-13(12-24-15)14(20)10-18-16(21)23-17(4,5)6/h12H,7-11H2,1-6H3,(H,18,21)
InChIKeyNHRGTIDUYRUSGP-UHFFFAOYSA-N
MW386.59 g/mol
LogP4.37
Rot. Bonds9

About tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate

tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate (PubChem CID 162413460) has the molecular formula C17H30N2O4SSi and a molecular weight of 386.59 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate
PubChem CID162413460
Molecular FormulaC17H30N2O4SSi
Molecular Weight386.59 g/mol
Exact Mass386.17
IUPAC Nametert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate
SMILESCC[Si](CC)(CC)OCc1nc(C(=O)CNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C17H30N2O4SSi/c1-7-25(8-2,9-3)22-11-15-19-13(12-24-15)14(20)10-18-16(21)23-17(4,5)6/h12H,7-11H2,1-6H3,(H,18,21)
InChIKeyNHRGTIDUYRUSGP-UHFFFAOYSA-N
XLogP4.37
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate (CID 162413460) is tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate is CC[Si](CC)(CC)OCc1nc(C(=O)CNC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate?
The InChIKey is NHRGTIDUYRUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4SSi/c1-7-25(8-2,9-3)22-11-15-19-13(12-24-15)14(20)10-18-16(21)23-17(4,5)6/h12H,7-11H2,1-6H3,(H,18,21).
What are the key properties of tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate has a molecular weight of 386.59 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 162413460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).