propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate

C21H21Cl2NO3S — CID 42729261

IUPACpropyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)Cc1ccccc1
InChIInChI=1S/C21H21Cl2NO3S/c1-2-10-27-21(26)18-13-28-20(15-8-9-16(22)17(23)12-15)24(18)19(25)11-14-6-4-3-5-7-14/h3-9,12,18,20H,2,10-11,13H2,1H3
InChIKeyGIVYGRAKPWTBKC-UHFFFAOYSA-N
MW438.38 g/mol
LogP5.13
Rot. Bonds6

About propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate

propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42729261) has the molecular formula C21H21Cl2NO3S and a molecular weight of 438.38 g/mol. Its IUPAC name is propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42729261
Molecular FormulaC21H21Cl2NO3S
Molecular Weight438.38 g/mol
Exact Mass437.06
IUPAC Namepropyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)Cc1ccccc1
InChIInChI=1S/C21H21Cl2NO3S/c1-2-10-27-21(26)18-13-28-20(15-8-9-16(22)17(23)12-15)24(18)19(25)11-14-6-4-3-5-7-14/h3-9,12,18,20H,2,10-11,13H2,1H3
InChIKeyGIVYGRAKPWTBKC-UHFFFAOYSA-N
XLogP5.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42729277
propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 3401669
propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729271
propyl 3-(1,3-benzodioxole-5-carbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729273
propyl 2-(3-chlorophenyl)-3-(3-phenylprop-2-enoyl)-1,3-thiazolidine-4-carboxylate
CID 3388333
propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
CID 7439910
butyl (2S,4R)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7296605
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
butyl 2-(2-chlorophenyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4552881
propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728427
butyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415565
butyl (2S,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415567

Frequently Asked Questions

What is the IUPAC name of propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate (CID 42729261) is propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)Cc1ccccc1.
What is the InChIKey of propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is GIVYGRAKPWTBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO3S/c1-2-10-27-21(26)18-13-28-20(15-8-9-16(22)17(23)12-15)24(18)19(25)11-14-6-4-3-5-7-14/h3-9,12,18,20H,2,10-11,13H2,1H3.
What are the key properties of propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate?
propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 438.38 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42729261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).