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2-(4-Hydroxy-piperidin-1-yl)-thiazole-4-carbaldehyde

HCID 59366161
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1csc(N2CCC(O)CC2)n1
InChIKey
WDEOTEKAFDMWSF-UHFFFAOYSA-N
Molecular formula
C9H12N2O2S
Average molar mass
212.27 g/mol

Names & identifiers

Preferred name
2-(4-Hydroxy-piperidin-1-yl)-thiazole-4-carbaldehyde
IUPAC
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde

Names & synonyms

SCHEMBL1061218WDEOTEKAFDMWSF-UHFFFAOYSA-N2-(4-hydroxy-piperidin-1-yl)-thiazole-4-carbaldehyde

Database identifiers

PubChem CID
59366161

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
81.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
207

Related reactions

5 records
New reaction record
HRID 314609 reaction equation
HRID 314609As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 532838 reaction equation
HRID 532838As reactantuspto-grants-2014_10
HRID 532850 reaction equation
HRID 532850As reactantuspto-grants-2014_10
HRID 2063564 reaction equation
HRID 2063564As reactantuspto-grants-2012_10
HRID 2063576 reaction equation
HRID 2063576As reactantuspto-grants-2012_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes