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5-Carboxy-2-(4,5-dihydro-2-thiazolyl)-pyridine

HCID 19864586
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc(C2=NCCS2)nc1
InChIKey
JRPCSPWCUWOGBS-UHFFFAOYSA-N
Molecular formula
C9H8N2O2S
Average molar mass
208.24 g/mol
Monoisotopic mass
208.03064868

Names & identifiers

Preferred name
5-Carboxy-2-(4,5-dihydro-2-thiazolyl)-pyridine
IUPAC
6-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL7277439JRPCSPWCUWOGBS-UHFFFAOYSA-N5-Carboxy-2-(4,5-dihydro-2-thiazolyl)-pyridine

Database identifiers

PubChem CID
19864586

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
87.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
268

Related reactions

3 records
New reaction record
HRID 135556 reaction equation
HRID 135556As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1200023 reaction equation
HRID 1200023As productuspto-grants-1990_02
HRID 1200025 reaction equation
HRID 1200025As reactantuspto-grants-1990_02

Compound notes

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