3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

C19H20FNO3S — CID 2881828

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CSC2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H20FNO3S/c1-23-16-8-3-13(11-17(16)24-2)9-10-21-18(22)12-25-19(21)14-4-6-15(20)7-5-14/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyYOJKZKHXTUVNOA-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.66
Rot. Bonds6

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 2881828) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID2881828
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CSC2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H20FNO3S/c1-23-16-8-3-13(11-17(16)24-2)9-10-21-18(22)12-25-19(21)14-4-6-15(20)7-5-14/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyYOJKZKHXTUVNOA-UHFFFAOYSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 2881828) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is COc1ccc(CCN2C(=O)CSC2c2ccc(F)cc2)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is YOJKZKHXTUVNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-23-16-8-3-13(11-17(16)24-2)9-10-21-18(22)12-25-19(21)14-4-6-15(20)7-5-14/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 361.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2881828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).