2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one

C18H17F2NOS — CID 42814170

IUPAC2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2F)N(CCc2ccccc2)C1=O
InChIInChI=1S/C18H17F2NOS/c1-12-17(22)21(10-9-13-5-3-2-4-6-13)18(23-12)15-8-7-14(19)11-16(15)20/h2-8,11-12,18H,9-10H2,1H3
InChIKeyKVHAKMFPQGUWIK-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.17
Rot. Bonds4

About 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one

2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one (PubChem CID 42814170) has the molecular formula C18H17F2NOS and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
PubChem CID42814170
Molecular FormulaC18H17F2NOS
Molecular Weight333.40 g/mol
Exact Mass333.10
IUPAC Name2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2F)N(CCc2ccccc2)C1=O
InChIInChI=1S/C18H17F2NOS/c1-12-17(22)21(10-9-13-5-3-2-4-6-13)18(23-12)15-8-7-14(19)11-16(15)20/h2-8,11-12,18H,9-10H2,1H3
InChIKeyKVHAKMFPQGUWIK-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one (CID 42814170) is 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one is CC1SC(c2ccc(F)cc2F)N(CCc2ccccc2)C1=O.
What is the InChIKey of 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
The InChIKey is KVHAKMFPQGUWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NOS/c1-12-17(22)21(10-9-13-5-3-2-4-6-13)18(23-12)15-8-7-14(19)11-16(15)20/h2-8,11-12,18H,9-10H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one?
2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one has a molecular weight of 333.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5-methyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).