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

C17H16FNO3S — CID 3490410

IUPAC2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(OCc3cccc(F)c3)cc2)N1
InChIInChI=1S/C17H16FNO3S/c18-13-3-1-2-11(8-13)9-22-14-6-4-12(5-7-14)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21)
InChIKeyHSDWOBKUUZLTNK-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.19
Rot. Bonds5

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

2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3490410) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID3490410
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(OCc3cccc(F)c3)cc2)N1
InChIInChI=1S/C17H16FNO3S/c18-13-3-1-2-11(8-13)9-22-14-6-4-12(5-7-14)16-19-15(10-23-16)17(20)21/h1-8,15-16,19H,9-10H2,(H,20,21)
InChIKeyHSDWOBKUUZLTNK-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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Related Compounds

2-{4-Methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-1,3-thiazolidine-4-carboxylic acid
CID 3242869
(R)-3-(2-Hydroxy-ethyl)-thiazolidine-4-carboxylic acid [(R)-2-cyclohexylmethylsulfanyl-1-(4-phenoxy-benzylcarbamoyl)-ethyl]-amide
CID 44384260
2-{4-[(2-Cyanobenzyl)oxy]-3-methoxyphenyl}-1,3-thiazolidine-4-carboxylic acid
CID 3243800
2-[4-(2-Ethoxy-2-oxoethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3245693
(S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-[4-(2,6-difluoro-benzyloxy)-phenyl]-propionic acid
CID 44386260
2-[4-(3-Piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 46880387
Methyl 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazolidine-4-carboxylate;oxalic acid
CID 49859944
2-{4-[(4-Fluorobenzyl)oxy]phenyl}-1,3-thiazolidine-4-carboxylic acid
CID 573377
(4R)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 12915701
3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 4057142
2-{4-[(2-Chloro-6-fluorobenzyl)oxy]-3-methoxyphenyl}-1,3-thiazolidine-4-carboxylic acid
CID 4287795
(4R)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610613

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 3490410) is 2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(OCc3cccc(F)c3)cc2)N1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HSDWOBKUUZLTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c18-13-3-1-2-11(8-13)9-22-14-6-4-12(5-7-14)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-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
2-[4-[(3-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-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3490410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).