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

C23H21NO3S — CID 1274921

IUPAC(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO3S/c1-2-26-19-14-10-18(11-15-19)24-22(25)16-28-23(24)17-8-12-21(13-9-17)27-20-6-4-3-5-7-20/h3-15,23H,2,16H2,1H3/t23-/m1/s1
InChIKeyDQJXHZCGEZBYJH-HSZRJFAPSA-N
MW391.49 g/mol
LogP5.66
Rot. Bonds6

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

(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1274921) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is (2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1274921
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO3S/c1-2-26-19-14-10-18(11-15-19)24-22(25)16-28-23(24)17-8-12-21(13-9-17)27-20-6-4-3-5-7-20/h3-15,23H,2,16H2,1H3/t23-/m1/s1
InChIKeyDQJXHZCGEZBYJH-HSZRJFAPSA-N
XLogP5.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3370397
2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3288402
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 13317425
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
[4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 4-methylbenzenesulfonate
CID 56968142
(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-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842579

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (CID 1274921) is (2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is DQJXHZCGEZBYJH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-2-26-19-14-10-18(11-15-19)24-22(25)16-28-23(24)17-8-12-21(13-9-17)27-20-6-4-3-5-7-20/h3-15,23H,2,16H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 391.49 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1274921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).