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

C20H25Cl2NO3S — CID 3401669

IUPACpropyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)C1CCCCC1
InChIInChI=1S/C20H25Cl2NO3S/c1-2-10-26-20(25)17-12-27-19(14-8-9-15(21)16(22)11-14)23(17)18(24)13-6-4-3-5-7-13/h8-9,11,13,17,19H,2-7,10,12H2,1H3
InChIKeyRITUDJTXWOOBOG-UHFFFAOYSA-N
MW430.40 g/mol
LogP5.47
Rot. Bonds5

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

propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 3401669) has the molecular formula C20H25Cl2NO3S and a molecular weight of 430.40 g/mol. Its IUPAC name is propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID3401669
Molecular FormulaC20H25Cl2NO3S
Molecular Weight430.40 g/mol
Exact Mass429.09
IUPAC Namepropyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)C1CCCCC1
InChIInChI=1S/C20H25Cl2NO3S/c1-2-10-26-20(25)17-12-27-19(14-8-9-15(21)16(22)11-14)23(17)18(24)13-6-4-3-5-7-13/h8-9,11,13,17,19H,2-7,10,12H2,1H3
InChIKeyRITUDJTXWOOBOG-UHFFFAOYSA-N
XLogP5.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.40
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

propyl 2-(4-tert-butylphenyl)-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729528
methyl 3-(cyclobutanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729218
propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 7416813
propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42729277
propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate
CID 42729261
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 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728427
(2S,4S)-3-(cyclohexanecarbonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylate
CID 7430050
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
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

Frequently Asked Questions

What is the IUPAC name of propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate (CID 3401669) is propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)C1CCCCC1.
What is the InChIKey of propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is RITUDJTXWOOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO3S/c1-2-10-26-20(25)17-12-27-19(14-8-9-15(21)16(22)11-14)23(17)18(24)13-6-4-3-5-7-13/h8-9,11,13,17,19H,2-7,10,12H2,1H3.
What are the key properties of propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate?
propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 430.40 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 3401669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).