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

C19H19F3N2S2 — CID 15679923

IUPAC5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(SC)c2)S1
InChIInChI=1S/C19H19F3N2S2/c1-3-16-12-24(15-8-4-6-13(10-15)19(20,21)22)18(26-16)23-14-7-5-9-17(11-14)25-2/h4-11,16H,3,12H2,1-2H3/b23-18-
InChIKeyHAGBGIMJIQEXCL-NKFKGCMQSA-N
MW396.50 g/mol
LogP6.45
Rot. Bonds4

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

5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (PubChem CID 15679923) has the molecular formula C19H19F3N2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
PubChem CID15679923
Molecular FormulaC19H19F3N2S2
Molecular Weight396.50 g/mol
Exact Mass396.09
IUPAC Name5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(SC)c2)S1
InChIInChI=1S/C19H19F3N2S2/c1-3-16-12-24(15-8-4-6-13(10-15)19(20,21)22)18(26-16)23-14-7-5-9-17(11-14)25-2/h4-11,16H,3,12H2,1-2H3/b23-18-
InChIKeyHAGBGIMJIQEXCL-NKFKGCMQSA-N
XLogP6.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 56.45
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

methyl N-methyl-N'-phenyl-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]carbamimidothioate
CID 13946594
methyl N'-(4-methylsulfanylphenyl)-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]carbamimidothioate
CID 13946608
4-(4-methylphenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 1823982
N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 3352996
4-(4-methylphenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine;hydrobromide
CID 90484869
4-(4-fluorophenyl)-3-propyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine;hydrobromide
CID 90484908
N-(3-Ethyl-phenyl)-N-methyl-N''-(3-methylsulfanyl-phenyl)-guanidine; hydrochloride
CID 10518276
5-methyl-2-phenylimino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carbothioamide
CID 12784267
4-[[5-Ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile
CID 15679898
N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
CID 15679899
5-ethyl-N-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
CID 15679903
5-ethyl-N,3-bis[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
CID 15679904

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (CID 15679923) is 5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is CCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(SC)c2)S1.
What is the InChIKey of 5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The InChIKey is HAGBGIMJIQEXCL-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H19F3N2S2/c1-3-16-12-24(15-8-4-6-13(10-15)19(20,21)22)18(26-16)23-14-7-5-9-17(11-14)25-2/h4-11,16H,3,12H2,1-2H3/b23-18-.
What are the key properties of 5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine has a molecular weight of 396.50 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 15679923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).