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

C18H18FNO3S — CID 3287644

IUPAC2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)cc(C2SCC(=O)N2Cc2cccc(F)c2)c1
InChIInChI=1S/C18H18FNO3S/c1-22-15-7-13(8-16(9-15)23-2)18-20(17(21)11-24-18)10-12-4-3-5-14(19)6-12/h3-9,18H,10-11H2,1-2H3
InChIKeyVQVHCNUNDLGCNB-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.62
Rot. Bonds5

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

2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3287644) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3287644
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)cc(C2SCC(=O)N2Cc2cccc(F)c2)c1
InChIInChI=1S/C18H18FNO3S/c1-22-15-7-13(8-16(9-15)23-2)18-20(17(21)11-24-18)10-12-4-3-5-14(19)6-12/h3-9,18H,10-11H2,1-2H3
InChIKeyVQVHCNUNDLGCNB-UHFFFAOYSA-N
XLogP3.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3287644) is 2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one is COc1cc(OC)cc(C2SCC(=O)N2Cc2cccc(F)c2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is VQVHCNUNDLGCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-22-15-7-13(8-16(9-15)23-2)18-20(17(21)11-24-18)10-12-4-3-5-14(19)6-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 347.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3287644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).