tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate

C20H37BN2O5SSi — CID 46192255

IUPACtert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate
SMILESCC(C)(C)OC(=O)N(COCC[Si](C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C20H37BN2O5SSi/c1-18(2,3)26-17(24)23(14-25-11-12-30(8,9)10)16-22-13-15(29-16)21-27-19(4,5)20(6,7)28-21/h13H,11-12,14H2,1-10H3
InChIKeyHBNMLZWVAOSFSG-UHFFFAOYSA-N
MW456.49 g/mol
LogP4.50
Rot. Bonds7

About tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate

tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate (PubChem CID 46192255) has the molecular formula C20H37BN2O5SSi and a molecular weight of 456.49 g/mol. Its IUPAC name is tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate
PubChem CID46192255
Molecular FormulaC20H37BN2O5SSi
Molecular Weight456.49 g/mol
Exact Mass456.23
IUPAC Nametert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate
SMILESCC(C)(C)OC(=O)N(COCC[Si](C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1
InChIInChI=1S/C20H37BN2O5SSi/c1-18(2,3)26-17(24)23(14-25-11-12-30(8,9)10)16-22-13-15(29-16)21-27-19(4,5)20(6,7)28-21/h13H,11-12,14H2,1-10H3
InChIKeyHBNMLZWVAOSFSG-UHFFFAOYSA-N
XLogP4.50
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate with MolForge

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Related Compounds

tert-butyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 66687428
tert-butyl N-(5-chloro-3-methylthieno[3,2-b]pyridin-7-yl)-N-(2-trimethylsilylethoxymethyl)carbamate
CID 162390973
tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate
CID 86693737
N-(5-bromo-1,3-thiazol-2-yl)-2,3,6-trifluoro-N-(2-trimethylsilylethoxymethyl)benzamide
CID 140780811
tert-butyl N-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
CID 75487100
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]propan-2-ol
CID 86731681
[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl] carbamate
CID 175058223
tert-butyl N-[(1S,5S,6S)-5-(2,3-difluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-yl]-N-(2-trimethylsilylethoxymethyl)carbamate
CID 131746111
methyl (1S,5S,6S)-5-(2-fluoro-3-methylphenyl)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylate
CID 140701847
tert-butyl N-(6,7-dichloro-3-iodo-1H-indol-4-yl)-N-(2-trimethylsilylethoxymethyl)carbamate
CID 170550397
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate
CID 131518473
tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butanoate
CID 140882037

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate?
The IUPAC name of tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate (CID 46192255) is tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate.
What is the SMILES notation for tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate?
The canonical SMILES for tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate is CC(C)(C)OC(=O)N(COCC[Si](C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1.
What is the InChIKey of tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate?
The InChIKey is HBNMLZWVAOSFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37BN2O5SSi/c1-18(2,3)26-17(24)23(14-25-11-12-30(8,9)10)16-22-13-15(29-16)21-27-19(4,5)20(6,7)28-21/h13H,11-12,14H2,1-10H3.
What are the key properties of tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate?
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate has a molecular weight of 456.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-N-(2-trimethylsilylethoxymethyl)carbamate is sourced from PubChem (CID 46192255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).