2-(Cyclopentylimino)-3-(p-iodophenyl)-4-oxo-5-thiazolidineacetic acid

HCID 217962

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 39964-44-8
Standard SMILES: O=C(O)CC1SC(=NC2CCCC2)N(c2ccc(I)cc2)C1=O
InChIKey: YHCKKVINUKSVNG-UHFFFAOYSA-N
Molecular formula: C16H17IN2O3S
Average molar mass: 444.3 g/mol
Monoisotopic mass: 444.00046

Names & identifiers

Preferred name: 2-(Cyclopentylimino)-3-(p-iodophenyl)-4-oxo-5-thiazolidineacetic acid
IUPAC: 2-[2-cyclopentylimino-3-(4-iodophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Names & synonyms

BRN 05747182-(Cyclopentylimino)-3-(p-iodophenyl)-4-oxo-5-thiazolidineacetic acid39964-44-85-Thiazolidineacetic acid, 2-(cyclopentylimino)-3-(p-iodophenyl)-4-oxo-

Database identifiers

CAS: 39964-44-8
PubChem CID: 217962

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 95.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 500

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…