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1-(2-tert-Butoxycarbonylamino-thiazol-5-ylmethyl)-piperidine-4-carboxylic acid ethyl ester

HCID 59610048
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C1CCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1
InChIKey
FAYAWGJFULKKFU-UHFFFAOYSA-N
Molecular formula
C17H27N3O4S
Average molar mass
369.5 g/mol

Names & identifiers

Preferred name
1-(2-tert-Butoxycarbonylamino-thiazol-5-ylmethyl)-piperidine-4-carboxylic acid ethyl ester
IUPAC
ethyl 1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

Names & synonyms

SCHEMBL3761918FAYAWGJFULKKFU-UHFFFAOYSA-N1-(2-tert-Butoxycarbonylamino-thiazol-5-ylmethyl)-piperidine-4-carboxylic acid ethyl ester

Database identifiers

PubChem CID
59610048

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
25
Formal charge
0
Complexity
461

Related reactions

4 records
New reaction record
HRID 195755 reaction equation
HRID 195755As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1153104 reaction equation
HRID 1153104As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1889185 reaction equation
HRID 1889185As productuspto-grants-2013_08
HRID 1889186 reaction equation
HRID 1889186As reactantuspto-grants-2013_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes