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

C16H9F5N2OS — CID 139220978

IUPAC3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccc(F)cc1F
InChIInChI=1S/C16H9F5N2OS/c17-10-4-5-13(12(18)7-10)23-14(24)8-25-15(23)22-11-3-1-2-9(6-11)16(19,20)21/h1-7H,8H2/b22-15-
InChIKeyHTHXEWCVIRNAHS-JCMHNJIXSA-N
MW372.32 g/mol
LogP4.75
Rot. Bonds2

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

3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 139220978) has the molecular formula C16H9F5N2OS and a molecular weight of 372.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID139220978
Molecular FormulaC16H9F5N2OS
Molecular Weight372.32 g/mol
Exact Mass372.04
IUPAC Name3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccc(F)cc1F
InChIInChI=1S/C16H9F5N2OS/c17-10-4-5-13(12(18)7-10)23-14(24)8-25-15(23)22-11-3-1-2-9(6-11)16(19,20)21/h1-7H,8H2/b22-15-
InChIKeyHTHXEWCVIRNAHS-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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Related Compounds

3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 134815215
3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 42625459
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 130385976
4-(2,4-difluorophenyl)thiomorpholine-3,5-dione
CID 2732309
(6S)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxylic acid
CID 700592
3-ethyl-N-(4-fluorophenyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
CID 3140640
2-(thiophen-2-ylmethylimino)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 139220997
5-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 10385218
3-benzyl-N-(4-fluorophenyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
CID 5206652
5-hydroxy-N-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide
CID 134483287
1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
CID 2732328
1-(3,4-dihydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 135464293

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 139220978) is 3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is HTHXEWCVIRNAHS-JCMHNJIXSA-N. The full InChI is InChI=1S/C16H9F5N2OS/c17-10-4-5-13(12(18)7-10)23-14(24)8-25-15(23)22-11-3-1-2-9(6-11)16(19,20)21/h1-7H,8H2/b22-15-.
What are the key properties of 3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-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 3-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 139220978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).