3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one

C18H17F2NO3S — CID 3842250

IUPAC3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SCC(=O)N1Cc1cc(F)ccc1F
InChIInChI=1S/C18H17F2NO3S/c1-23-14-4-3-5-15(24-2)17(14)18-21(16(22)10-25-18)9-11-8-12(19)6-7-13(11)20/h3-8,18H,9-10H2,1-2H3
InChIKeyJUKCXCBIQXRXBV-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.76
Rot. Bonds5

About 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one

3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3842250) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3842250
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(OC)c1C1SCC(=O)N1Cc1cc(F)ccc1F
InChIInChI=1S/C18H17F2NO3S/c1-23-14-4-3-5-15(24-2)17(14)18-21(16(22)10-25-18)9-11-8-12(19)6-7-13(11)20/h3-8,18H,9-10H2,1-2H3
InChIKeyJUKCXCBIQXRXBV-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3842250) is 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cccc(OC)c1C1SCC(=O)N1Cc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is JUKCXCBIQXRXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c1-23-14-4-3-5-15(24-2)17(14)18-21(16(22)10-25-18)9-11-8-12(19)6-7-13(11)20/h3-8,18H,9-10H2,1-2H3.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one?
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 365.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3842250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).