tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate

C17H32N2O3SSi — CID 59156423

IUPACtert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO[Si](C)(C)C(C)(C)C)c1nccs1
InChIInChI=1S/C17H32N2O3SSi/c1-16(2,3)22-15(20)19(14-18-10-13-23-14)11-9-12-21-24(7,8)17(4,5)6/h10,13H,9,11-12H2,1-8H3
InChIKeyUGXZCUPFVIQVDE-UHFFFAOYSA-N
MW372.61 g/mol
LogP5.30
Rot. Bonds6

About tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate

tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate (PubChem CID 59156423) has the molecular formula C17H32N2O3SSi and a molecular weight of 372.61 g/mol. Its IUPAC name is tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate
PubChem CID59156423
Molecular FormulaC17H32N2O3SSi
Molecular Weight372.61 g/mol
Exact Mass372.19
IUPAC Nametert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCO[Si](C)(C)C(C)(C)C)c1nccs1
InChIInChI=1S/C17H32N2O3SSi/c1-16(2,3)22-15(20)19(14-18-10-13-23-14)11-9-12-21-24(7,8)17(4,5)6/h10,13H,9,11-12H2,1-8H3
InChIKeyUGXZCUPFVIQVDE-UHFFFAOYSA-N
XLogP5.30
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.61
LogP ≤ 55.30
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate (CID 59156423) is tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)N(CCCO[Si](C)(C)C(C)(C)C)c1nccs1.
What is the InChIKey of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is UGXZCUPFVIQVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3SSi/c1-16(2,3)22-15(20)19(14-18-10-13-23-14)11-9-12-21-24(7,8)17(4,5)6/h10,13H,9,11-12H2,1-8H3.
What are the key properties of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate?
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 372.61 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 59156423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).