(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

C16H14FNOS — CID 741588

IUPAC(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNOS/c1-11-2-8-14(9-3-11)18-15(19)10-20-16(18)12-4-6-13(17)7-5-12/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKeyXIYYIJMNJAUFBO-INIZCTEOSA-N
MW287.36 g/mol
LogP3.91
Rot. Bonds2

About (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 741588) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID741588
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNOS/c1-11-2-8-14(9-3-11)18-15(19)10-20-16(18)12-4-6-13(17)7-5-12/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKeyXIYYIJMNJAUFBO-INIZCTEOSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 690197
3-(4-hydroxyphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057465
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326
3-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 5057472
3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea
CID 46132400
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 42803978
3-(3,4-dimethoxy-5-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 130395733
2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one
CID 58229147
4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804733
2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5080347

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 741588) is (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is XIYYIJMNJAUFBO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-11-2-8-14(9-3-11)18-15(19)10-20-16(18)12-4-6-13(17)7-5-12/h2-9,16H,10H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 741588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).