2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one

C20H23NO5S — CID 21103352

IUPAC2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(CN2C(=O)CSC2c2cccc(OC)c2OC)c1
InChIInChI=1S/C20H23NO5S/c1-23-14-8-9-16(24-2)13(10-14)11-21-18(22)12-27-20(21)15-6-5-7-17(25-3)19(15)26-4/h5-10,20H,11-12H2,1-4H3
InChIKeyKSCFWZMWJYAUDT-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.50
Rot. Bonds7

About 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one

2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 21103352) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID21103352
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(CN2C(=O)CSC2c2cccc(OC)c2OC)c1
InChIInChI=1S/C20H23NO5S/c1-23-14-8-9-16(24-2)13(10-14)11-21-18(22)12-27-20(21)15-6-5-7-17(25-3)19(15)26-4/h5-10,20H,11-12H2,1-4H3
InChIKeyKSCFWZMWJYAUDT-UHFFFAOYSA-N
XLogP3.50
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643
2-(2,4-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4669256
2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3856405
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3719146
3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3752592
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3814721
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
3-[(2,3-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3313737

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 21103352) is 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1ccc(OC)c(CN2C(=O)CSC2c2cccc(OC)c2OC)c1.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is KSCFWZMWJYAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-23-14-8-9-16(24-2)13(10-14)11-21-18(22)12-27-20(21)15-6-5-7-17(25-3)19(15)26-4/h5-10,20H,11-12H2,1-4H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 389.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 21103352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).