(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one

C21H17NO2S — CID 6935175

IUPAC(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17NO2S/c23-20-15-25-21(16-7-3-1-4-8-16)22(20)17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-14,21H,15H2/t21-/m0/s1
InChIKeyFJXQPSWQRXSPMD-NRFANRHFSA-N
MW347.44 g/mol
LogP5.26
Rot. Bonds4

About (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one

(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 6935175) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID6935175
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17NO2S/c23-20-15-25-21(16-7-3-1-4-8-16)22(20)17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-14,21H,15H2/t21-/m0/s1
InChIKeyFJXQPSWQRXSPMD-NRFANRHFSA-N
XLogP5.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one
CID 87722066
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
(2S)-3-(2-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 27566922
3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one
CID 87722351
(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 95402321
3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 53497781
3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 25073003
3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 10337318
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274924

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one (CID 6935175) is (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one is O=C1CS[C@@H](c2ccccc2)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is FJXQPSWQRXSPMD-NRFANRHFSA-N. The full InChI is InChI=1S/C21H17NO2S/c23-20-15-25-21(16-7-3-1-4-8-16)22(20)17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-14,21H,15H2/t21-/m0/s1.
What are the key properties of (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one?
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 347.44 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6935175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).