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5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

HCID 39240004
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN1CCc2nc(C(=O)[O-])sc2C1
InChIKey
URPHLHADYVVAIF-UHFFFAOYSA-M
Molecular formula
C8H9N2O2S-
Average molar mass
197.24 g/mol

Names & identifiers

Preferred name
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
IUPAC
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

Database identifiers

PubChem CID
39240004

Properties

Computed structural properties

XLogP
-0.9
Topological polar surface area
84.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
13
Formal charge
-1
Complexity
219

Related reactions

7 records
New reaction record
HRID 96467 reaction equation
HRID 96467As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 121581 reaction equation
HRID 121581As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 175083 reaction equation
HRID 175083As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 301746 reaction equation
HRID 301746As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 821185 reaction equation
HRID 821185As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1216484 reaction equation
HRID 1216484As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2132060 reaction equation
HRID 2132060As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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