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1100350-49-9 molecular structure
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tert-butyl N-(4-{[methoxy(methyl)amino]methyl}-1,3-thiazol-2-yl)carbamate

ChemBase ID: 50937
Molecular Formular: C11H19N3O3S
Molecular Mass: 273.35186
Monoisotopic Mass: 273.11471248
SMILES and InChIs

SMILES:
c1(nc(cs1)CN(OC)C)NC(=O)OC(C)(C)C
Canonical SMILES:
CON(Cc1csc(n1)NC(=O)OC(C)(C)C)C
InChI:
InChI=1S/C11H19N3O3S/c1-11(2,3)17-10(15)13-9-12-8(7-18-9)6-14(4)16-5/h7H,6H2,1-5H3,(H,12,13,15)
InChIKey:
UAIVSSZGUDIGPN-UHFFFAOYSA-N

Cite this record

CBID:50937 http://www.chembase.cn/molecule-50937.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(4-{[methoxy(methyl)amino]methyl}-1,3-thiazol-2-yl)carbamate
IUPAC Traditional name
tert-butyl N-(4-{[methoxy(methyl)amino]methyl}-1,3-thiazol-2-yl)carbamate
Synonyms
{4-[(Methoxy-methyl-amino)-methyl]-thiazol-2-yl}-carbamic acid tert-butyl ester
CAS Number
1100350-49-9
MDL Number
MFCD11982863
PubChem SID
162055700
PubChem CID
43819142

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 43819142 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.108981  H Acceptors
H Donor LogD (pH = 5.5) 1.8631705 
LogD (pH = 7.4) 1.8631752  Log P 1.8631834 
Molar Refractivity 70.0046 cm3 Polarizability 27.03518 Å3
Polar Surface Area 63.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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