2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C16H9F5N2OS — CID 139220991

IUPAC2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(F)cc2F)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9F5N2OS/c17-10-4-5-13(12(18)7-10)22-15-23(14(24)8-25-15)11-3-1-2-9(6-11)16(19,20)21/h1-7H,8H2/b22-15-
InChIKeyOWVOXPADORVYSM-JCMHNJIXSA-N
MW372.32 g/mol
LogP4.75
Rot. Bonds2

About 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 139220991) has the molecular formula C16H9F5N2OS and a molecular weight of 372.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID139220991
Molecular FormulaC16H9F5N2OS
Molecular Weight372.32 g/mol
Exact Mass372.04
IUPAC Name2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(F)cc2F)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9F5N2OS/c17-10-4-5-13(12(18)7-10)22-15-23(14(24)8-25-15)11-3-1-2-9(6-11)16(19,20)21/h1-7H,8H2/b22-15-
InChIKeyOWVOXPADORVYSM-JCMHNJIXSA-N
XLogP4.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 139220991) is 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccc(F)cc2F)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is OWVOXPADORVYSM-JCMHNJIXSA-N. The full InChI is InChI=1S/C16H9F5N2OS/c17-10-4-5-13(12(18)7-10)22-15-23(14(24)8-25-15)11-3-1-2-9(6-11)16(19,20)21/h1-7H,8H2/b22-15-.
What are the key properties of 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 372.32 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 139220991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).