[3-Pentyl-2-(pentylimino)-4-oxo-5-thiazolidinylidene]acetic acid

HCID 54079663
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Basic information

Standard SMILES
CCCCCN=C1SC(=CC(=O)O)C(=O)N1CCCCC
InChIKey
MMEPTAOKOJXOPD-UHFFFAOYSA-N
Molecular formula
C15H24N2O3S
Average molar mass
312.4 g/mol
Monoisotopic mass
312.15076381

Names & identifiers

Preferred name
[3-Pentyl-2-(pentylimino)-4-oxo-5-thiazolidinylidene]acetic acid
IUPAC
2-(4-oxo-3-pentyl-2-pentylimino-1,3-thiazolidin-5-ylidene)acetic acid

Names & synonyms

SCHEMBL10665796MMEPTAOKOJXOPD-UHFFFAOYSA-N[3-Pentyl-2-(pentylimino)-4-oxo-5-thiazolidinylidene]acetic acid

Database identifiers

PubChem CID
54079663

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
95.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
21

Related reactions

1 records
New reaction record

Compound notes

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