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2-Benzoylamino-4-methyl-thiazole-5-carboxylic acid

HCID 856802
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1nc(NC(=O)c2ccccc2)sc1C(=O)O
InChIKey
FZEPDGODKRYQGL-UHFFFAOYSA-N
Molecular formula
C12H10N2O3S
Average molar mass
262.29 g/mol

Names & identifiers

Preferred name
2-Benzoylamino-4-methyl-thiazole-5-carboxylic acid
IUPAC
2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid

Names & synonyms

2-Benzoylamino-4-methyl-thiazole-5-carboxylic acid603095-60-92-Benzamido-4-methylthiazole-5-carboxylic Acid2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acidSCHEMBL3582729FZEPDGODKRYQGL-UHFFFAOYSA-NAKOS000738393ST090214DB-3645792-(benzamido)-4-methylthiazole-5-carboxylic acid2-benzoylamino-4-methylthiazole-5-carboxylic acidSR-01000338559
Show more names
SR-01000338559-12-(benzoylamino)-4-methyl-1,3-thiazole-5-carboxylic acid4-methyl-2-(phenylcarbonylamino)-1,3-thiazole-5-carboxylic acid

Database identifiers

PubChem CID
856802

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
331

Related reactions

6 records
New reaction record
HRID 45320 reaction equation
HRID 45320As productuspto-grants-2013_09
HRID 45367 reaction equation
HRID 45367As reactantuspto-grants-2013_09
HRID 45377 reaction equation
HRID 45377As reactantuspto-grants-2013_09
HRID 116235 reaction equation
HRID 116235As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 934771 reaction equation
HRID 934771As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2139141 reaction equation
HRID 2139141As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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