N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

C18H15ClF4N2S — CID 15679909

IUPACN-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(F)c(Cl)c2)S1
InChIInChI=1S/C18H15ClF4N2S/c1-2-14-10-25(13-5-3-4-11(8-13)18(21,22)23)17(26-14)24-12-6-7-16(20)15(19)9-12/h3-9,14H,2,10H2,1H3/b24-17-
InChIKeyJLGSQGWTGFGSRZ-ULJHMMPZSA-N
MW402.84 g/mol
LogP6.52
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (PubChem CID 15679909) has the molecular formula C18H15ClF4N2S and a molecular weight of 402.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
PubChem CID15679909
Molecular FormulaC18H15ClF4N2S
Molecular Weight402.84 g/mol
Exact Mass402.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(F)c(Cl)c2)S1
InChIInChI=1S/C18H15ClF4N2S/c1-2-14-10-25(13-5-3-4-11(8-13)18(21,22)23)17(26-14)24-12-6-7-16(20)15(19)9-12/h3-9,14H,2,10H2,1H3/b24-17-
InChIKeyJLGSQGWTGFGSRZ-ULJHMMPZSA-N
XLogP6.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N'-(3-chlorophenyl)-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]carbamimidothioate
CID 13946614
(2Z)-3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815215
(2Z)-3-(3-chloro-4-fluoro-phenyl)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815349
(2Z)-3-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815414
(Z)-4-(4-Chlorophenyl)-3-ethyl-N-phenylthiazol-2(3H)-imine
CID 693919
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-(3,5-dichlorophenyl)-4,4,6-trimethylpyrimidine
CID 2730561
(4Z)-1-(3-Chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-EN-4-imine
CID 3477166
N-[(2Z)-4-(4-chlorophenyl)-3-(2-phenylethyl)-1,3-thiazol-2(3H)-ylidene]-3-(trifluoromethyl)aniline
CID 3530060
N-(3-chloro-4-methylphenyl)-3-cyclopropyl-4-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 3999166
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1,3-thiazolidin-2-imine
CID 4852847
N-(4-chlorophenyl)-5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 76319643
4-(4-chlorophenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine;hydrobromide
CID 90484844

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (CID 15679909) is N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is CCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(F)c(Cl)c2)S1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The InChIKey is JLGSQGWTGFGSRZ-ULJHMMPZSA-N. The full InChI is InChI=1S/C18H15ClF4N2S/c1-2-14-10-25(13-5-3-4-11(8-13)18(21,22)23)17(26-14)24-12-6-7-16(20)15(19)9-12/h3-9,14H,2,10H2,1H3/b24-17-.
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine has a molecular weight of 402.84 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 15679909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).