(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

C12H15F3N2OS — CID 135989144

IUPAC(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESC[C@@]1(C(F)(F)F)S/C(=N/[C@H]2C[C@@H]3CC[C@H]2C3)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)/t6-,7+,8+,11-/m1/s1
InChIKeySQDWBZARAZLSRH-OFHVYEONSA-N
MW292.33 g/mol
LogP2.71
Rot. Bonds1

About (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (PubChem CID 135989144) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
PubChem CID135989144
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESC[C@@]1(C(F)(F)F)S/C(=N/[C@H]2C[C@@H]3CC[C@H]2C3)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)/t6-,7+,8+,11-/m1/s1
InChIKeySQDWBZARAZLSRH-OFHVYEONSA-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'}

Analyze (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (CID 135989144) is (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is C[C@@]1(C(F)(F)F)S/C(=N/[C@H]2C[C@@H]3CC[C@H]2C3)NC1=O.
What is the InChIKey of (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The InChIKey is SQDWBZARAZLSRH-OFHVYEONSA-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)/t6-,7+,8+,11-/m1/s1.
What are the key properties of (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-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 (5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).