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

C18H16ClF3N2S — CID 15679899

IUPACN-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(Cl)cc2)S1
InChIInChI=1S/C18H16ClF3N2S/c1-2-16-11-24(15-5-3-4-12(10-15)18(20,21)22)17(25-16)23-14-8-6-13(19)7-9-14/h3-10,16H,2,11H2,1H3/b23-17-
InChIKeyCRKZBLCLTLDCRP-QJOMJCCJSA-N
MW384.85 g/mol
LogP6.38
Rot. Bonds3

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

N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (PubChem CID 15679899) has the molecular formula C18H16ClF3N2S and a molecular weight of 384.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
PubChem CID15679899
Molecular FormulaC18H16ClF3N2S
Molecular Weight384.85 g/mol
Exact Mass384.07
IUPAC NameN-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(Cl)cc2)S1
InChIInChI=1S/C18H16ClF3N2S/c1-2-16-11-24(15-5-3-4-12(10-15)18(20,21)22)17(25-16)23-14-8-6-13(19)7-9-14/h3-10,16H,2,11H2,1H3/b23-17-
InChIKeyCRKZBLCLTLDCRP-QJOMJCCJSA-N
XLogP6.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.85
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The IUPAC name of N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (CID 15679899) is N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is CCC1CN(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(Cl)cc2)S1.
What is the InChIKey of N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The InChIKey is CRKZBLCLTLDCRP-QJOMJCCJSA-N. The full InChI is InChI=1S/C18H16ClF3N2S/c1-2-16-11-24(15-5-3-4-12(10-15)18(20,21)22)17(25-16)23-14-8-6-13(19)7-9-14/h3-10,16H,2,11H2,1H3/b23-17-.
What are the key properties of N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine has a molecular weight of 384.85 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 15679899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).