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

C12H11F3N2OS — CID 175536900

IUPAC2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccccc1CC(F)C(F)F
InChIInChI=1S/C12H11F3N2OS/c13-8(11(14)15)5-7-3-1-2-4-9(7)17-10(18)6-19-12(17)16/h1-4,8,11,16H,5-6H2/b16-12-
InChIKeyVNEAJPYIUGTULL-VBKFSLOCSA-N
MW288.29 g/mol
LogP2.85
Rot. Bonds4

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

2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 175536900) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID175536900
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccccc1CC(F)C(F)F
InChIInChI=1S/C12H11F3N2OS/c13-8(11(14)15)5-7-3-1-2-4-9(7)17-10(18)6-19-12(17)16/h1-4,8,11,16H,5-6H2/b16-12-
InChIKeyVNEAJPYIUGTULL-VBKFSLOCSA-N
XLogP2.85
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-imino-3-(1-methylindol-4-yl)-1,3-thiazolidin-4-one
CID 164535879
2-imino-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 90404131
3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4098918
2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one
CID 178018157
2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one
CID 154675697
3-benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
3-[2-(1-ethoxyethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155581450
2-imino-3-[2-(1-methoxyethyl)-4-methylphenyl]-1,3-thiazolidin-4-one
CID 155581327
3-[2-[(2-chloro-2-fluoropropoxy)methyl]-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155581404
2-imino-3-[5-methyl-2-[2-(2-methylphenyl)sulfanylprop-2-enoxymethyl]phenyl]-1,3-thiazolidin-4-one
CID 155580988
ethyl 4-(2-imino-4-oxo-1,3-thiazolidin-3-yl)benzoate
CID 622006
3-[2-(1,3-benzothiazol-2-ylmethoxymethyl)-5-methylphenyl]-2-imino-1,3-thiazolidin-4-one
CID 155580514

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one (CID 175536900) is 2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1ccccc1CC(F)C(F)F.
What is the InChIKey of 2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is VNEAJPYIUGTULL-VBKFSLOCSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-8(11(14)15)5-7-3-1-2-4-9(7)17-10(18)6-19-12(17)16/h1-4,8,11,16H,5-6H2/b16-12-.
What are the key properties of 2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one?
2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 288.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-[2-(2,3,3-trifluoropropyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 175536900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).