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

C19H18F3NO3S — CID 3719146

IUPAC3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(CN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3NO3S/c1-25-15-7-8-16(26-2)13(9-15)10-23-17(24)11-27-18(23)12-3-5-14(6-4-12)19(20,21)22/h3-9,18H,10-11H2,1-2H3
InChIKeyKUJLNFHQYKBNOJ-UHFFFAOYSA-N
MW397.42 g/mol
LogP4.50
Rot. Bonds5

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

3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3719146) has the molecular formula C19H18F3NO3S and a molecular weight of 397.42 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID3719146
Molecular FormulaC19H18F3NO3S
Molecular Weight397.42 g/mol
Exact Mass397.10
IUPAC Name3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(CN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H18F3NO3S/c1-25-15-7-8-16(26-2)13(9-15)10-23-17(24)11-27-18(23)12-3-5-14(6-4-12)19(20,21)22/h3-9,18H,10-11H2,1-2H3
InChIKeyKUJLNFHQYKBNOJ-UHFFFAOYSA-N
XLogP4.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 3719146) is 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is COc1ccc(OC)c(CN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is KUJLNFHQYKBNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3S/c1-25-15-7-8-16(26-2)13(9-15)10-23-17(24)11-27-18(23)12-3-5-14(6-4-12)19(20,21)22/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 397.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3719146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).