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'}

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

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Related Compounds

2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-tert-butyl-1,3-thiazolidin-4-one
CID 135989484
(6R,9S,17S,20S)-nonacyclo[13.6.2.14,11.16,9.117,20.02,14.03,12.05,10.016,21]hexacosan-13-one
CID 50908923
ethenyl 2-[[(1S,2S)-2-bicyclo[2.2.1]heptanyl]imino]-4-oxo-1,3-thiazolidine-5-carboxylate
CID 143468153
(5R)-2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503261
(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(1,1-difluoroethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135999762
(1S,2R,3R,6S,7S,8R)-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecane-10,12-dione
CID 11287707
5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione
CID 162362321
5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one
CID 162551173
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazolidin-4-one
CID 135989355
5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane
CID 143468064
(7S)-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-11-one
CID 154938203
5-azatetracyclo[8.2.1.02,9.04,7]tridecan-6-one
CID 58165596

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).