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

C16H9ClF4N2OS — CID 134815349

IUPAC3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H9ClF4N2OS/c17-12-7-11(4-5-13(12)18)23-14(24)8-25-15(23)22-10-3-1-2-9(6-10)16(19,20)21/h1-7H,8H2/b22-15-
InChIKeyBAZQZCWWCMONML-JCMHNJIXSA-N
MW388.77 g/mol
LogP5.27
Rot. Bonds2

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

3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 134815349) has the molecular formula C16H9ClF4N2OS and a molecular weight of 388.77 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID134815349
Molecular FormulaC16H9ClF4N2OS
Molecular Weight388.77 g/mol
Exact Mass388.01
IUPAC Name3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H9ClF4N2OS/c17-12-7-11(4-5-13(12)18)23-14(24)8-25-15(23)22-10-3-1-2-9(6-10)16(19,20)21/h1-7H,8H2/b22-15-
InChIKeyBAZQZCWWCMONML-JCMHNJIXSA-N
XLogP5.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.77
LogP ≤ 55.27
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

Cyto8C4
CID 2730001
3-(3-Chlorophenyl)-2-(2,6-difluorophenyl)thiazolidin-4-one
CID 503745
2-(2-Chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 4300147
(5Z)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5892306
2-Benzylsulfanyl-3-(5-chloro-2-methylphenyl)-3,5-dihydroimidazol-4-one
CID 44295815
(2Z)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815437
3-m-Tolyl-2-m-tolylimino-thiazolidin-4-one
CID 1244300
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155166
2-[(4-Chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155413
2-((2-chlorobenzyl)thio)-3-(4-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155415
3-(4-chlorophenyl)-2-((3-fluorobenzyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155442
3-(4-Chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155443

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 134815349) is 3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is BAZQZCWWCMONML-JCMHNJIXSA-N. The full InChI is InChI=1S/C16H9ClF4N2OS/c17-12-7-11(4-5-13(12)18)23-14(24)8-25-15(23)22-10-3-1-2-9(6-10)16(19,20)21/h1-7H,8H2/b22-15-.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 388.77 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 134815349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).