2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

C23H23NO3S2 — CID 23848088

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CCc2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23NO3S2/c1-26-21-14-18(9-10-20(21)27-15-17-6-3-2-4-7-17)23-24(22(25)16-29-23)12-11-19-8-5-13-28-19/h2-10,13-14,23H,11-12,15-16H2,1H3
InChIKeyPIUFPYMVUOGVSM-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.15
Rot. Bonds8

About 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 23848088) has the molecular formula C23H23NO3S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
PubChem CID23848088
Molecular FormulaC23H23NO3S2
Molecular Weight425.58 g/mol
Exact Mass425.11
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CCc2cccs2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23NO3S2/c1-26-21-14-18(9-10-20(21)27-15-17-6-3-2-4-7-17)23-24(22(25)16-29-23)12-11-19-8-5-13-28-19/h2-10,13-14,23H,11-12,15-16H2,1H3
InChIKeyPIUFPYMVUOGVSM-UHFFFAOYSA-N
XLogP5.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3769250
3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3813482
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 4987041
2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3820114
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
CID 3807254
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
benzyl 2-[[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3321472
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
N-[(3,4-dimethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43910156
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 3859836
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (CID 23848088) is 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is COc1cc(C2SCC(=O)N2CCc2cccs2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is PIUFPYMVUOGVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S2/c1-26-21-14-18(9-10-20(21)27-15-17-6-3-2-4-7-17)23-24(22(25)16-29-23)12-11-19-8-5-13-28-19/h2-10,13-14,23H,11-12,15-16H2,1H3.
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 425.58 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23848088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).