2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one

C12H13F3N2OS — CID 162603197

IUPAC2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CC3CCC4C3C24)SC1C(F)(F)F
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)9-10(18)17-11(19-9)16-6-3-4-1-2-5-7(4)8(5)6/h4-9H,1-3H2,(H,16,17,18)
InChIKeyFFICUHYKZSENGU-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.18
Rot. Bonds1

About 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one

2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one (PubChem CID 162603197) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one
PubChem CID162603197
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CC3CCC4C3C24)SC1C(F)(F)F
InChIInChI=1S/C12H13F3N2OS/c13-12(14,15)9-10(18)17-11(19-9)16-6-3-4-1-2-5-7(4)8(5)6/h4-9H,1-3H2,(H,16,17,18)
InChIKeyFFICUHYKZSENGU-UHFFFAOYSA-N
XLogP2.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
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 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one (CID 162603197) is 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CC3CCC4C3C24)SC1C(F)(F)F.
What is the InChIKey of 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The InChIKey is FFICUHYKZSENGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c13-12(14,15)9-10(18)17-11(19-9)16-6-3-4-1-2-5-7(4)8(5)6/h4-9H,1-3H2,(H,16,17,18).
What are the key properties of 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one has a molecular weight of 290.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tricyclo[3.3.0.02,8]octanylimino)-5-(trifluoromethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 162603197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).