2-[trans-3-(3-Carboxy-3,3-dimethylpropyloxy)styryl]-4-isopropylthiazole

HCID 15718445
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Basic information

Standard SMILES
CC(C)c1csc(/C=C/c2cccc(OCCC(C)(C)C(=O)O)c2)n1
InChIKey
LBSYDPWIHGFJNU-CMDGGOBGSA-N
Molecular formula
C20H25NO3S
Average molar mass
359.5 g/mol

Names & identifiers

Preferred name
2-[trans-3-(3-Carboxy-3,3-dimethylpropyloxy)styryl]-4-isopropylthiazole
IUPAC
2,2-dimethyl-4-[3-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]phenoxy]butanoic acid

Names & synonyms

SCHEMBL9515927LBSYDPWIHGFJNU-CMDGGOBGSA-N2-[trans-3-(3-carboxy-3,3-dimethylpropyloxy)styryl]-4-isopropylthiazole

Database identifiers

PubChem CID
15718445

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
87.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
25

Related reactions

1 records
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Compound notes

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