2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

C17H16FNO3S — CID 573377

IUPAC2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(OCc3ccc(F)cc3)cc2)N1
InChIInChI=1S/C17H16FNO3S/c18-13-5-1-11(2-6-13)9-22-14-7-3-12(4-8-14)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21)
InChIKeyZFRLMTNGSVCZMW-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.19
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 573377) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID573377
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(OCc3ccc(F)cc3)cc2)N1
InChIInChI=1S/C17H16FNO3S/c18-13-5-1-11(2-6-13)9-22-14-7-3-12(4-8-14)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21)
InChIKeyZFRLMTNGSVCZMW-UHFFFAOYSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 573377) is 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(OCc3ccc(F)cc3)cc2)N1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZFRLMTNGSVCZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c18-13-5-1-11(2-6-13)9-22-14-7-3-12(4-8-14)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21).
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 573377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).