3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

C16H14F3N3S — CID 24788416

IUPAC3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESFC(F)(F)c1ccccc1/N=C1\SCCN1Cc1ccccn1
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)13-6-1-2-7-14(13)21-15-22(9-10-23-15)11-12-5-3-4-8-20-12/h1-8H,9-11H2/b21-15-
InChIKeyYHNCUCSDXYVHDT-QNGOZBTKSA-N
MW337.37 g/mol
LogP4.34
Rot. Bonds3

About 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (PubChem CID 24788416) has the molecular formula C16H14F3N3S and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
PubChem CID24788416
Molecular FormulaC16H14F3N3S
Molecular Weight337.37 g/mol
Exact Mass337.09
IUPAC Name3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESFC(F)(F)c1ccccc1/N=C1\SCCN1Cc1ccccn1
InChIInChI=1S/C16H14F3N3S/c17-16(18,19)13-6-1-2-7-14(13)21-15-22(9-10-23-15)11-12-5-3-4-8-20-12/h1-8H,9-11H2/b21-15-
InChIKeyYHNCUCSDXYVHDT-QNGOZBTKSA-N
XLogP4.34
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (CID 24788416) is 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is FC(F)(F)c1ccccc1/N=C1\SCCN1Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The InChIKey is YHNCUCSDXYVHDT-QNGOZBTKSA-N. The full InChI is InChI=1S/C16H14F3N3S/c17-16(18,19)13-6-1-2-7-14(13)21-15-22(9-10-23-15)11-12-5-3-4-8-20-12/h1-8H,9-11H2/b21-15-.
What are the key properties of 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine has a molecular weight of 337.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 24788416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).