3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one

C18H17F2NO3S — CID 3752592

IUPAC3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2SCC(=O)N2Cc2c(F)cccc2F)c1
InChIInChI=1S/C18H17F2NO3S/c1-23-11-6-7-16(24-2)12(8-11)18-21(17(22)10-25-18)9-13-14(19)4-3-5-15(13)20/h3-8,18H,9-10H2,1-2H3
InChIKeyNVZIVOJYTNLNQF-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.76
Rot. Bonds5

About 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one

3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3752592) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3752592
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2SCC(=O)N2Cc2c(F)cccc2F)c1
InChIInChI=1S/C18H17F2NO3S/c1-23-11-6-7-16(24-2)12(8-11)18-21(17(22)10-25-18)9-13-14(19)4-3-5-15(13)20/h3-8,18H,9-10H2,1-2H3
InChIKeyNVZIVOJYTNLNQF-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
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-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 21103352
2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
CID 3597487
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23851729
2-(2,4-dimethoxyphenyl)-3-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazolidin-4-one
CID 3594994
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878
2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3866950

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3752592) is 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(OC)c(C2SCC(=O)N2Cc2c(F)cccc2F)c1.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is NVZIVOJYTNLNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c1-23-11-6-7-16(24-2)12(8-11)18-21(17(22)10-25-18)9-13-14(19)4-3-5-15(13)20/h3-8,18H,9-10H2,1-2H3.
What are the key properties of 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one?
3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 365.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3752592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).