3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

C13H13F3N2O2S — CID 42625459

IUPAC3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CS/C1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2S/c1-20-6-5-18-11(19)8-21-12(18)17-10-4-2-3-9(7-10)13(14,15)16/h2-4,7H,5-6,8H2,1H3/b17-12-
InChIKeyZAVJQQIUHWYHBL-ATVHPVEESA-N
MW318.32 g/mol
LogP2.91
Rot. Bonds4

About 3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 42625459) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID42625459
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CS/C1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2S/c1-20-6-5-18-11(19)8-21-12(18)17-10-4-2-3-9(7-10)13(14,15)16/h2-4,7H,5-6,8H2,1H3/b17-12-
InChIKeyZAVJQQIUHWYHBL-ATVHPVEESA-N
XLogP2.91
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 42625459) is 3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is COCCN1C(=O)CS/C1=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is ZAVJQQIUHWYHBL-ATVHPVEESA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c1-20-6-5-18-11(19)8-21-12(18)17-10-4-2-3-9(7-10)13(14,15)16/h2-4,7H,5-6,8H2,1H3/b17-12-.
What are the key properties of 3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 318.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 42625459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).