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

C10H10ClNO2S — CID 500302

IUPAC2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2Cl)N1
InChIInChI=1S/C10H10ClNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKeyJMNONJXMGLSVNV-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.13
Rot. Bonds2

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

2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 500302) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID500302
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC Name2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2Cl)N1
InChIInChI=1S/C10H10ClNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKeyJMNONJXMGLSVNV-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylthiazolidine-4-carboxylic acid
CID 39237
2-(4-Methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 569775
5,5-Dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 41947
2-(2-Phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 666161
2-(4-Ethylphenyl)Thiazolidine-4-Carboxylic Acid
CID 3141768
2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827731
8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 2763859
2-(2-Chlorophenyl)-1,3-thiazolidin-4-one
CID 3121283
2-(3-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 496375
2-(2-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872214
2-(3-Heptyl-phenyl)-thiazolidine-4-carboxylic acid
CID 9883039
2-(4-Chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 327597

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 500302) is 2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccccc2Cl)N1.
What is the InChIKey of 2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JMNONJXMGLSVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14).
What are the key properties of 2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 243.72 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 500302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).