butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate

C18H23Cl2NO3S — CID 42748997

IUPACbutyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCOC(=O)C1CSC(CCC)N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2NO3S/c1-3-5-9-24-18(23)15-11-25-16(6-4-2)21(15)17(22)13-8-7-12(19)10-14(13)20/h7-8,10,15-16H,3-6,9,11H2,1-2H3
InChIKeyFCWNSYUXIFCEBW-UHFFFAOYSA-N
MW404.36 g/mol
LogP5.02
Rot. Bonds7

About butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate

butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate (PubChem CID 42748997) has the molecular formula C18H23Cl2NO3S and a molecular weight of 404.36 g/mol. Its IUPAC name is butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namebutyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
PubChem CID42748997
Molecular FormulaC18H23Cl2NO3S
Molecular Weight404.36 g/mol
Exact Mass403.08
IUPAC Namebutyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCOC(=O)C1CSC(CCC)N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H23Cl2NO3S/c1-3-5-9-24-18(23)15-11-25-16(6-4-2)21(15)17(22)13-8-7-12(19)10-14(13)20/h7-8,10,15-16H,3-6,9,11H2,1-2H3
InChIKeyFCWNSYUXIFCEBW-UHFFFAOYSA-N
XLogP5.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.36
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate 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

propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728427
butyl (2S,4S)-3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 7396132
butyl 3-butanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748996
3-(2-bromo-4-chlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 107986700
butyl 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745476
butyl 3-(4-chlorobenzoyl)-2-cyclohexyl-1,3-thiazolidine-4-carboxylate
CID 42729805
methyl 3-(3-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729383
butyl (2S,4R)-3-(2-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7362470
butyl 2-ethyl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42748893
3-(2,4-dichlorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791942
butyl 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729576
butyl 3-(4-butylbenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42658113

Frequently Asked Questions

What is the IUPAC name of butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate (CID 42748997) is butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate is CCCCOC(=O)C1CSC(CCC)N1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is FCWNSYUXIFCEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO3S/c1-3-5-9-24-18(23)15-11-25-16(6-4-2)21(15)17(22)13-8-7-12(19)10-14(13)20/h7-8,10,15-16H,3-6,9,11H2,1-2H3.
What are the key properties of butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate?
butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 404.36 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42748997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).