1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one

C15H19Cl2NOS — CID 5086784

IUPAC1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCSC1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2NOS/c1-2-3-4-8-13(19)18-9-10-20-15(18)11-6-5-7-12(16)14(11)17/h5-7,15H,2-4,8-10H2,1H3
InChIKeyRXNYJWVTWVVGPA-UHFFFAOYSA-N
MW332.30 g/mol
LogP5.15
Rot. Bonds5

About 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one

1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one (PubChem CID 5086784) has the molecular formula C15H19Cl2NOS and a molecular weight of 332.30 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one
PubChem CID5086784
Molecular FormulaC15H19Cl2NOS
Molecular Weight332.30 g/mol
Exact Mass331.06
IUPAC Name1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCSC1c1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2NOS/c1-2-3-4-8-13(19)18-9-10-20-15(18)11-6-5-7-12(16)14(11)17/h5-7,15H,2-4,8-10H2,1H3
InChIKeyRXNYJWVTWVVGPA-UHFFFAOYSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.30
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7355994
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 5077564
1-[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 3320188
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7271195
N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3636809
2-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5211788
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
CID 4163378
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]nonan-1-one
CID 5237084
N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 5211610
1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7361597
1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]octan-1-one
CID 4160928
1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]dodecan-1-one
CID 42665401

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one?
The IUPAC name of 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one (CID 5086784) is 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one.
What is the SMILES notation for 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one?
The canonical SMILES for 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one is CCCCCC(=O)N1CCSC1c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one?
The InChIKey is RXNYJWVTWVVGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NOS/c1-2-3-4-8-13(19)18-9-10-20-15(18)11-6-5-7-12(16)14(11)17/h5-7,15H,2-4,8-10H2,1H3.
What are the key properties of 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one?
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one has a molecular weight of 332.30 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one is sourced from PubChem (CID 5086784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).