2-(3,4-dichloro-phenyl)-3-(3-oxo-cyclopentyl)-N-thiazol-2-yl-propionamide

HCID 10000003

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCC(CC(C(=O)Nc2nccs2)c2ccc(Cl)c(Cl)c2)C1
InChIKey: IICNFYZYAVVBJL-UHFFFAOYSA-N
Molecular formula: C17H16Cl2N2O2S
Average molar mass: 383.3 g/mol

Names & identifiers

Preferred name: 2-(3,4-dichloro-phenyl)-3-(3-oxo-cyclopentyl)-N-thiazol-2-yl-propionamide
IUPAC: 2-(3,4-dichlorophenyl)-3-(3-oxocyclopentyl)-N-(1,3-thiazol-2-yl)propanamide

Names & synonyms

SCHEMBL2642309SCHEMBL14423138IICNFYZYAVVBJL-UHFFFAOYSA-N2-(3,4-dichloro-phenyl)-3-(3-oxo-cyclopentyl)-N-thiazol-2-yl-propionamide

Database identifiers

PubChem CID: 10000003

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 87.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 480

Related reactions

9 records

New reaction record

HRID 179839As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 854810As productuspto-grants-2007_08

HRID 854823As reactantuspto-grants-2007_08

HRID 854826As reactantuspto-grants-2007_08

HRID 960303As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2145633As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2214101As productuspto-grants-2006_09

HRID 2214114As reactantuspto-grants-2006_09

Compound notes

Loading…