3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine

C9H7F3N2S — CID 58974944

IUPAC3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine
SMILES[H]/N=C1\SCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)6-2-1-3-7(4-6)14-5-15-8(14)13/h1-4,13H,5H2/b13-8-
InChIKeyTWMVYBDFWUTYLW-JYRVWZFOSA-N
MW232.23 g/mol
LogP3.15
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine

3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine (PubChem CID 58974944) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine
PubChem CID58974944
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine
SMILES[H]/N=C1\SCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3N2S/c10-9(11,12)6-2-1-3-7(4-6)14-5-15-8(14)13/h1-4,13H,5H2/b13-8-
InChIKeyTWMVYBDFWUTYLW-JYRVWZFOSA-N
XLogP3.15
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine
CID 18634889
2-[3-(trifluoromethyl)phenyl]-3H-isoindol-1-imine
CID 3849972
5-methyl-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 143901480
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 6513598
4-(1,3-benzothiazol-2-yl)-5-imino-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol
CID 135467326
1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 70692250
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633532
[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yl] acetate
CID 154239323
S-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]thiohydroxylamine
CID 21446131

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine (CID 58974944) is 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine is [H]/N=C1\SCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine?
The InChIKey is TWMVYBDFWUTYLW-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H7F3N2S/c10-9(11,12)6-2-1-3-7(4-6)14-5-15-8(14)13/h1-4,13H,5H2/b13-8-.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine?
3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine has a molecular weight of 232.23 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-1,3-thiazetidin-2-imine is sourced from PubChem (CID 58974944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).