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

C17H18N2O3S — CID 3808644

IUPAC3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccccn2)c(OC)c1
InChIInChI=1S/C17H18N2O3S/c1-21-13-7-6-12(15(9-13)22-2)10-19-16(20)11-23-17(19)14-5-3-4-8-18-14/h3-9,17H,10-11H2,1-2H3
InChIKeyYZQVRTOWCHGUDT-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.87
Rot. Bonds5

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

3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 3808644) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID3808644
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CSC2c2ccccn2)c(OC)c1
InChIInChI=1S/C17H18N2O3S/c1-21-13-7-6-12(15(9-13)22-2)10-19-16(20)11-23-17(19)14-5-3-4-8-18-14/h3-9,17H,10-11H2,1-2H3
InChIKeyYZQVRTOWCHGUDT-UHFFFAOYSA-N
XLogP2.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
2-(2,4-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4669256
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643
2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 21103352
3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3810429
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4995229
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
2-(2,4-dimethoxyphenyl)-3-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazolidin-4-one
CID 3594994
2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3866950

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one (CID 3808644) is 3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)CSC2c2ccccn2)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is YZQVRTOWCHGUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-21-13-7-6-12(15(9-13)22-2)10-19-16(20)11-23-17(19)14-5-3-4-8-18-14/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one?
3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3808644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).