3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile

C19H16F3N3S — CID 15679906

IUPAC3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(C#N)c2)S1
InChIInChI=1S/C19H16F3N3S/c1-2-17-12-25(16-8-4-6-14(10-16)19(20,21)22)18(26-17)24-15-7-3-5-13(9-15)11-23/h3-10,17H,2,12H2,1H3/b24-18-
InChIKeyAIDJERBSUVXZCB-MOHJPFBDSA-N
MW375.42 g/mol
LogP5.60
Rot. Bonds3

About 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile

3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile (PubChem CID 15679906) has the molecular formula C19H16F3N3S and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile.

Molecular Properties

Compound Name3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile
PubChem CID15679906
Molecular FormulaC19H16F3N3S
Molecular Weight375.42 g/mol
Exact Mass375.10
IUPAC Name3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(C#N)c2)S1
InChIInChI=1S/C19H16F3N3S/c1-2-17-12-25(16-8-4-6-14(10-16)19(20,21)22)18(26-17)24-15-7-3-5-13(9-15)11-23/h3-10,17H,2,12H2,1H3/b24-18-
InChIKeyAIDJERBSUVXZCB-MOHJPFBDSA-N
XLogP5.60
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(3-Benzylthiazolidylidene))aniline
CID 115915
methyl N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidothioate
CID 2804513
3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
CID 4846637
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-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-N'-[4-(trifluoromethyl)phenyl]carbamimidothioate
CID 13946598
methyl N'-(2-cyanophenyl)-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]carbamimidothioate
CID 13946601
methyl N'-(3-cyanophenyl)-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]carbamimidothioate
CID 13946602
methyl N'-(4-cyanophenyl)-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]carbamimidothioate
CID 13946603
methyl N'-(4-cyanophenyl)-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]carbamimidothioate
CID 13946604
4-(Trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-ol
CID 127050347
[5-Methyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]cyanamide
CID 15451823
3-ethyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine
CID 5245414

Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile?
The IUPAC name of 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile (CID 15679906) is 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile.
What is the SMILES notation for 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile?
The canonical SMILES for 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile is CCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(C#N)c2)S1.
What is the InChIKey of 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile?
The InChIKey is AIDJERBSUVXZCB-MOHJPFBDSA-N. The full InChI is InChI=1S/C19H16F3N3S/c1-2-17-12-25(16-8-4-6-14(10-16)19(20,21)22)18(26-17)24-15-7-3-5-13(9-15)11-23/h3-10,17H,2,12H2,1H3/b24-18-.
What are the key properties of 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile?
3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile has a molecular weight of 375.42 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]amino]benzonitrile is sourced from PubChem (CID 15679906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).