2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

C13H15F5N2OS — CID 137061593

IUPAC2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC(C)C1(C(F)(F)F)S/C(=N/C2C[C@@H]3[C@H](C2)C3(F)F)NC1=O
InChIInChI=1S/C13H15F5N2OS/c1-5(2)11(13(16,17)18)9(21)20-10(22-11)19-6-3-7-8(4-6)12(7,14)15/h5-8H,3-4H2,1-2H3,(H,19,20,21)/t6?,7-,8+,11?
InChIKeyOTWKQPCZTNPJKM-ZGNHZNFISA-N
MW342.33 g/mol
LogP3.21
Rot. Bonds2

About 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one

2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (PubChem CID 137061593) has the molecular formula C13H15F5N2OS and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
PubChem CID137061593
Molecular FormulaC13H15F5N2OS
Molecular Weight342.33 g/mol
Exact Mass342.08
IUPAC Name2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC(C)C1(C(F)(F)F)S/C(=N/C2C[C@@H]3[C@H](C2)C3(F)F)NC1=O
InChIInChI=1S/C13H15F5N2OS/c1-5(2)11(13(16,17)18)9(21)20-10(22-11)19-6-3-7-8(4-6)12(7,14)15/h5-8H,3-4H2,1-2H3,(H,19,20,21)/t6?,7-,8+,11?
InChIKeyOTWKQPCZTNPJKM-ZGNHZNFISA-N
XLogP3.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-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 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (CID 137061593) is 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is CC(C)C1(C(F)(F)F)S/C(=N/C2C[C@@H]3[C@H](C2)C3(F)F)NC1=O.
What is the InChIKey of 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The InChIKey is OTWKQPCZTNPJKM-ZGNHZNFISA-N. The full InChI is InChI=1S/C13H15F5N2OS/c1-5(2)11(13(16,17)18)9(21)20-10(22-11)19-6-3-7-8(4-6)12(7,14)15/h5-8H,3-4H2,1-2H3,(H,19,20,21)/t6?,7-,8+,11?.
What are the key properties of 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one has a molecular weight of 342.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]imino]-5-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137061593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).