3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

C13H11F3N2OS — CID 139220989

IUPAC3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1C1CC1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)8-2-1-3-9(6-8)17-12-18(10-4-5-10)11(19)7-20-12/h1-3,6,10H,4-5,7H2/b17-12-
InChIKeyOXMITQMRBFKNQK-ATVHPVEESA-N
MW300.31 g/mol
LogP3.43
Rot. Bonds2

About 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 139220989) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID139220989
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1C1CC1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)8-2-1-3-9(6-8)17-12-18(10-4-5-10)11(19)7-20-12/h1-3,6,10H,4-5,7H2/b17-12-
InChIKeyOXMITQMRBFKNQK-ATVHPVEESA-N
XLogP3.43
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-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 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 139220989) is 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is OXMITQMRBFKNQK-ATVHPVEESA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)8-2-1-3-9(6-8)17-12-18(10-4-5-10)11(19)7-20-12/h1-3,6,10H,4-5,7H2/b17-12-.
What are the key properties of 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 300.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 139220989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).