1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone

C20H23NO4S — CID 122345649

IUPAC1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCSC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO4S/c1-23-16-7-4-14(5-8-16)12-19(22)21-10-11-26-20(21)15-6-9-17(24-2)18(13-15)25-3/h4-9,13,20H,10-12H2,1-3H3
InChIKeyOKBYPGSWWPUMSV-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.53
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone

1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 122345649) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID122345649
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCSC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO4S/c1-23-16-7-4-14(5-8-16)12-19(22)21-10-11-26-20(21)15-6-9-17(24-2)18(13-15)25-3/h4-9,13,20H,10-12H2,1-3H3
InChIKeyOKBYPGSWWPUMSV-UHFFFAOYSA-N
XLogP3.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
CID 5079864
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122345740
3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122345737
2-(4-methoxy-3-methylphenyl)-1-[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122329734
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
2-[4-(trifluoromethyl)phenyl]-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330845
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-pentoxyphenyl)methanone
CID 122345724
(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781070

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone (CID 122345649) is 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCSC2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is OKBYPGSWWPUMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-23-16-7-4-14(5-8-16)12-19(22)21-10-11-26-20(21)15-6-9-17(24-2)18(13-15)25-3/h4-9,13,20H,10-12H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone?
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 373.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 122345649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).