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

C10H10ClNO2S — CID 107773712

IUPAC(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2cccc(Cl)c2)N1
InChIInChI=1S/C10H10ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)/t8-,9?/m1/s1
InChIKeyZIAXCRNTOFXJPM-VEDVMXKPSA-N
MW243.72 g/mol
LogP2.13
Rot. Bonds2

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

(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107773712) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is (4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107773712
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC Name(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2cccc(Cl)c2)N1
InChIInChI=1S/C10H10ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)/t8-,9?/m1/s1
InChIKeyZIAXCRNTOFXJPM-VEDVMXKPSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 107773712) is (4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSC(c2cccc(Cl)c2)N1.
What is the InChIKey of (4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZIAXCRNTOFXJPM-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)/t8-,9?/m1/s1.
What are the key properties of (4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(3-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 (4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107773712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).