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

C18H17F2NOS — CID 3368532

IUPAC3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(CCc2ccccc2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2NOS/c19-15-8-6-14(10-16(15)20)11-21-17(22)12-23-18(21)9-7-13-4-2-1-3-5-13/h1-6,8,10,18H,7,9,11-12H2
InChIKeyWTHJPVDRVNHLNU-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.00
Rot. Bonds5

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

3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one (PubChem CID 3368532) has the molecular formula C18H17F2NOS and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one
PubChem CID3368532
Molecular FormulaC18H17F2NOS
Molecular Weight333.40 g/mol
Exact Mass333.10
IUPAC Name3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(CCc2ccccc2)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2NOS/c19-15-8-6-14(10-16(15)20)11-21-17(22)12-23-18(21)9-7-13-4-2-1-3-5-13/h1-6,8,10,18H,7,9,11-12H2
InChIKeyWTHJPVDRVNHLNU-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one (CID 3368532) is 3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one is O=C1CSC(CCc2ccccc2)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one?
The InChIKey is WTHJPVDRVNHLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NOS/c19-15-8-6-14(10-16(15)20)11-21-17(22)12-23-18(21)9-7-13-4-2-1-3-5-13/h1-6,8,10,18H,7,9,11-12H2.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one?
3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one has a molecular weight of 333.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3368532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).