3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one

C18H17F2NO2S — CID 5016060

IUPAC3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(COCc2ccccc2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2NO2S/c19-15-7-6-14(8-16(15)20)9-21-17(22)12-24-18(21)11-23-10-13-4-2-1-3-5-13/h1-8,18H,9-12H2
InChIKeyLNLAKKKTDJFOSG-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.58
Rot. Bonds6

About 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one

3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one (PubChem CID 5016060) has the molecular formula C18H17F2NO2S and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one
PubChem CID5016060
Molecular FormulaC18H17F2NO2S
Molecular Weight349.40 g/mol
Exact Mass349.09
IUPAC Name3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(COCc2ccccc2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2NO2S/c19-15-7-6-14(8-16(15)20)9-21-17(22)12-24-18(21)11-23-10-13-4-2-1-3-5-13/h1-8,18H,9-12H2
InChIKeyLNLAKKKTDJFOSG-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one (CID 5016060) is 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one is O=C1CSC(COCc2ccccc2)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one?
The InChIKey is LNLAKKKTDJFOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2S/c19-15-7-6-14(8-16(15)20)9-21-17(22)12-24-18(21)11-23-10-13-4-2-1-3-5-13/h1-8,18H,9-12H2.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one?
3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one has a molecular weight of 349.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-2-(phenylmethoxymethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5016060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).