3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid

C17H13Cl2NO3S — CID 3412095

IUPAC3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2Cl)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2NO3S/c18-11-7-5-10(6-8-11)15(21)20-14(17(22)23)9-24-16(20)12-3-1-2-4-13(12)19/h1-8,14,16H,9H2,(H,22,23)
InChIKeyJKORGSCWKYPVOR-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.33
Rot. Bonds3

About 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid

3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3412095) has the molecular formula C17H13Cl2NO3S and a molecular weight of 382.27 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID3412095
Molecular FormulaC17H13Cl2NO3S
Molecular Weight382.27 g/mol
Exact Mass381.00
IUPAC Name3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2Cl)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2NO3S/c18-11-7-5-10(6-8-11)15(21)20-14(17(22)23)9-24-16(20)12-3-1-2-4-13(12)19/h1-8,14,16H,9H2,(H,22,23)
InChIKeyJKORGSCWKYPVOR-UHFFFAOYSA-N
XLogP4.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 3412095) is 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccccc2Cl)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JKORGSCWKYPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3S/c18-11-7-5-10(6-8-11)15(21)20-14(17(22)23)9-24-16(20)12-3-1-2-4-13(12)19/h1-8,14,16H,9H2,(H,22,23).
What are the key properties of 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 382.27 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3412095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).