2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C11H9F3N2O2S — CID 155581532

IUPAC2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(OC)ccc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O2S/c1-18-6-2-3-7(11(12,13)14)8(4-6)16-9(17)5-19-10(16)15/h2-4,15H,5H2,1H3/b15-10-
InChIKeyQSHBRKXBVYVYGC-GDNBJRDFSA-N
MW290.27 g/mol
LogP2.73
Rot. Bonds2

About 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 155581532) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID155581532
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC Name2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(OC)ccc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O2S/c1-18-6-2-3-7(11(12,13)14)8(4-6)16-9(17)5-19-10(16)15/h2-4,15H,5H2,1H3/b15-10-
InChIKeyQSHBRKXBVYVYGC-GDNBJRDFSA-N
XLogP2.73
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
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 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 155581532) is 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1cc(OC)ccc1C(F)(F)F.
What is the InChIKey of 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is QSHBRKXBVYVYGC-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c1-18-6-2-3-7(11(12,13)14)8(4-6)16-9(17)5-19-10(16)15/h2-4,15H,5H2,1H3/b15-10-.
What are the key properties of 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 290.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-[5-methoxy-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155581532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).