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

C20H18Cl2FNO3S — CID 42728427

IUPACpropyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2FNO3S/c1-2-9-27-20(26)17-11-28-19(12-3-6-14(23)7-4-12)24(17)18(25)15-8-5-13(21)10-16(15)22/h3-8,10,17,19H,2,9,11H2,1H3
InChIKeyHGDVTQABUYGWFP-UHFFFAOYSA-N
MW442.34 g/mol
LogP5.34
Rot. Bonds5

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

propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42728427) has the molecular formula C20H18Cl2FNO3S and a molecular weight of 442.34 g/mol. Its IUPAC name is propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42728427
Molecular FormulaC20H18Cl2FNO3S
Molecular Weight442.34 g/mol
Exact Mass441.04
IUPAC Namepropyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2FNO3S/c1-2-9-27-20(26)17-11-28-19(12-3-6-14(23)7-4-12)24(17)18(25)15-8-5-13(21)10-16(15)22/h3-8,10,17,19H,2,9,11H2,1H3
InChIKeyHGDVTQABUYGWFP-UHFFFAOYSA-N
XLogP5.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.34
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42727802
butyl 3-(2,4-dichlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748997
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729271
ethyl 3-(2-chloro-4-nitrobenzoyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate
CID 42658063
propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42729277
ethyl 3-(2-chloro-4-nitrobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728980
propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 3401669
propyl 3-(1,3-benzodioxole-5-carbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729273
propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate
CID 42729261
methyl 2-(3,4-dichlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729205
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770

Frequently Asked Questions

What is the IUPAC name of propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate (CID 42728427) is propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1CSC(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is HGDVTQABUYGWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FNO3S/c1-2-9-27-20(26)17-11-28-19(12-3-6-14(23)7-4-12)24(17)18(25)15-8-5-13(21)10-16(15)22/h3-8,10,17,19H,2,9,11H2,1H3.
What are the key properties of propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 442.34 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42728427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).