5-{2-[2-(Acetylamino)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxylic acid

HCID 86650006
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Basic information

Standard SMILES
CC(=O)Nc1nc(CCc2ccc(C(=O)O)s2)cs1
InChIKey
JHTLEWPYXHSDMH-UHFFFAOYSA-N
Molecular formula
C12H12N2O3S2
Average molar mass
296.4 g/mol
Monoisotopic mass
296.0289346

Names & identifiers

Preferred name
5-{2-[2-(Acetylamino)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxylic acid
IUPAC
5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxylic acid

Names & synonyms

SCHEMBL972980JHTLEWPYXHSDMH-UHFFFAOYSA-N5-{2-[2-(acetylamino)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxylic acid

Database identifiers

PubChem CID
86650006

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
136 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
19

Related reactions

2 records
New reaction record

Linked notes

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