(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one

C22H19NO3S — CID 1274265

IUPAC(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO3S/c1-25-18-13-9-17(10-14-18)23-21(24)15-27-22(23)16-7-11-20(12-8-16)26-19-5-3-2-4-6-19/h2-14,22H,15H2,1H3/t22-/m1/s1
InChIKeyLWFRNCAZDAAVSK-JOCHJYFZSA-N
MW377.47 g/mol
LogP5.27
Rot. Bonds5

About (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one

(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1274265) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1274265
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO3S/c1-25-18-13-9-17(10-14-18)23-21(24)15-27-22(23)16-7-11-20(12-8-16)26-19-5-3-2-4-6-19/h2-14,22H,15H2,1H3/t22-/m1/s1
InChIKeyLWFRNCAZDAAVSK-JOCHJYFZSA-N
XLogP5.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125434
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
3-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304116
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 6935158
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3445359

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (CID 1274265) is (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CS[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LWFRNCAZDAAVSK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-25-18-13-9-17(10-14-18)23-21(24)15-27-22(23)16-7-11-20(12-8-16)26-19-5-3-2-4-6-19/h2-14,22H,15H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 377.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1274265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).