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

C18H17F2NOS2 — CID 3690961

IUPAC3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCCSc1ccc(C2SCC(=O)N2Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H17F2NOS2/c1-2-23-14-6-4-13(5-7-14)18-21(17(22)11-24-18)10-12-3-8-15(19)16(20)9-12/h3-9,18H,2,10-11H2,1H3
InChIKeyWINXXXQQGUIJJE-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.85
Rot. Bonds5

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

3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3690961) has the molecular formula C18H17F2NOS2 and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID3690961
Molecular FormulaC18H17F2NOS2
Molecular Weight365.47 g/mol
Exact Mass365.07
IUPAC Name3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCCSc1ccc(C2SCC(=O)N2Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H17F2NOS2/c1-2-23-14-6-4-13(5-7-14)18-21(17(22)11-24-18)10-12-3-8-15(19)16(20)9-12/h3-9,18H,2,10-11H2,1H3
InChIKeyWINXXXQQGUIJJE-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.85
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-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 3690961) is 3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one is CCSc1ccc(C2SCC(=O)N2Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is WINXXXQQGUIJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NOS2/c1-2-23-14-6-4-13(5-7-14)18-21(17(22)11-24-18)10-12-3-8-15(19)16(20)9-12/h3-9,18H,2,10-11H2,1H3.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-[(3,4-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 365.47 g/mol, XLogP of 4.85, 5 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-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3690961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).