2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

C12H15F3N2OS — CID 135989122

IUPAC2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC1(C(F)(F)F)S/C(=N/C2CC3CCC2C3)NC1=O
InChIInChI=1S/C12H15F3N2OS/c1-11(12(13,14)15)9(18)17-10(19-11)16-8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3,(H,16,17,18)
InChIKeySQDWBZARAZLSRH-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.71
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (PubChem CID 135989122) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
PubChem CID135989122
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC1(C(F)(F)F)S/C(=N/C2CC3CCC2C3)NC1=O
InChIInChI=1S/C12H15F3N2OS/c1-11(12(13,14)15)9(18)17-10(19-11)16-8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3,(H,16,17,18)
InChIKeySQDWBZARAZLSRH-UHFFFAOYSA-N
XLogP2.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.71
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-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (CID 135989122) is 2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is CC1(C(F)(F)F)S/C(=N/C2CC3CCC2C3)NC1=O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The InChIKey is SQDWBZARAZLSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-11(12(13,14)15)9(18)17-10(19-11)16-8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one has a molecular weight of 292.33 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).