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

C19H21NO4S — CID 3792643

IUPAC3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(CN2C(=O)CSC2c2ccccc2OC)c1
InChIInChI=1S/C19H21NO4S/c1-22-14-8-9-16(23-2)13(10-14)11-20-18(21)12-25-19(20)15-6-4-5-7-17(15)24-3/h4-10,19H,11-12H2,1-3H3
InChIKeyAFKUQSWYNCJBAI-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.49
Rot. Bonds6

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

3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3792643) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3792643
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(CN2C(=O)CSC2c2ccccc2OC)c1
InChIInChI=1S/C19H21NO4S/c1-22-14-8-9-16(23-2)13(10-14)11-20-18(21)12-25-19(20)15-6-4-5-7-17(15)24-3/h4-10,19H,11-12H2,1-3H3
InChIKeyAFKUQSWYNCJBAI-UHFFFAOYSA-N
XLogP3.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4669256
2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 21103352
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-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3719146
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3752592
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3808644
2-(2,4-dimethoxyphenyl)-3-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazolidin-4-one
CID 3594994

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3792643) is 3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(OC)c(CN2C(=O)CSC2c2ccccc2OC)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is AFKUQSWYNCJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-22-14-8-9-16(23-2)13(10-14)11-20-18(21)12-25-19(20)15-6-4-5-7-17(15)24-3/h4-10,19H,11-12H2,1-3H3.
What are the key properties of 3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 359.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3792643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).