2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

C23H21NO3S — CID 4533874

IUPAC2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCSC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H21NO3S/c25-22(17-26-19-9-3-1-4-10-19)24-14-15-28-23(24)18-8-7-13-21(16-18)27-20-11-5-2-6-12-20/h1-13,16,23H,14-15,17H2
InChIKeyWHKJTLHBZPYBGB-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.13
Rot. Bonds6

About 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 4533874) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID4533874
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCSC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H21NO3S/c25-22(17-26-19-9-3-1-4-10-19)24-14-15-28-23(24)18-8-7-13-21(16-18)27-20-11-5-2-6-12-20/h1-13,16,23H,14-15,17H2
InChIKeyWHKJTLHBZPYBGB-UHFFFAOYSA-N
XLogP5.13
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 ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 1024512
1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]dodecan-1-one
CID 42665401
(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025273
2-phenoxy-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 42781009
(2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 7418724
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 5077564
(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025269
1,3-benzodioxol-5-yl-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 5114658
(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025382
(2R)-N-(2-ethoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025381

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 4533874) is 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is O=C(COc1ccccc1)N1CCSC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is WHKJTLHBZPYBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c25-22(17-26-19-9-3-1-4-10-19)24-14-15-28-23(24)18-8-7-13-21(16-18)27-20-11-5-2-6-12-20/h1-13,16,23H,14-15,17H2.
What are the key properties of 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 391.49 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 4533874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).