2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid

C10H9ClFNO2S — CID 4111321

IUPAC2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2c(F)cccc2Cl)N1
InChIInChI=1S/C10H9ClFNO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-3,7,9,13H,4H2,(H,14,15)
InChIKeyPRXCOYDDYVVUSY-UHFFFAOYSA-N
MW261.70 g/mol
LogP2.27
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid

2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 4111321) has the molecular formula C10H9ClFNO2S and a molecular weight of 261.70 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID4111321
Molecular FormulaC10H9ClFNO2S
Molecular Weight261.70 g/mol
Exact Mass261.00
IUPAC Name2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2c(F)cccc2Cl)N1
InChIInChI=1S/C10H9ClFNO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-3,7,9,13H,4H2,(H,14,15)
InChIKeyPRXCOYDDYVVUSY-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 4111321) is 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2c(F)cccc2Cl)N1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PRXCOYDDYVVUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-3,7,9,13H,4H2,(H,14,15).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 261.70 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 4111321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).