2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

C17H19Cl2NO3S — CID 42728688

IUPAC2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO3S/c18-11-6-7-12(13(19)8-11)15(21)20-14(17(22)23)9-24-16(20)10-4-2-1-3-5-10/h6-8,10,14,16H,1-5,9H2,(H,22,23)
InChIKeyVSUNUZIAMFPVFS-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.54
Rot. Bonds3

About 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42728688) has the molecular formula C17H19Cl2NO3S and a molecular weight of 388.32 g/mol. Its IUPAC name is 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID42728688
Molecular FormulaC17H19Cl2NO3S
Molecular Weight388.32 g/mol
Exact Mass387.05
IUPAC Name2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO3S/c18-11-6-7-12(13(19)8-11)15(21)20-14(17(22)23)9-24-16(20)10-4-2-1-3-5-10/h6-8,10,14,16H,1-5,9H2,(H,22,23)
InChIKeyVSUNUZIAMFPVFS-UHFFFAOYSA-N
XLogP4.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791942
3-(2-chloro-5-hydroxybenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 106500299
(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7296665
3-(4-chloro-2-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791065
3-(2-chloro-4-methylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106860578
2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780905
3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 107938010
2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780524
(2R,4R)-3-(2-chlorobenzoyl)-2-cyclohexyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1198821
3-(4-chlorobenzoyl)-2-cyclohexyl-N-cyclopropyl-1,3-thiazolidine-4-carboxamide
CID 42744142
2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781785
3-(6-chloropyridine-2-carbonyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63779841

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 42728688) is 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VSUNUZIAMFPVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3S/c18-11-6-7-12(13(19)8-11)15(21)20-14(17(22)23)9-24-16(20)10-4-2-1-3-5-10/h6-8,10,14,16H,1-5,9H2,(H,22,23).
What are the key properties of 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 388.32 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42728688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).