5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

C13H13F3N2OS — CID 135950129

IUPAC5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C13H13F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-6-4-3-5-8(9)13(14,15)16/h3-7,10H,1-2H3,(H,17,18,19)
InChIKeyXZKSMGYATPQENF-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.58
Rot. Bonds2

About 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135950129) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135950129
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C13H13F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-6-4-3-5-8(9)13(14,15)16/h3-7,10H,1-2H3,(H,17,18,19)
InChIKeyXZKSMGYATPQENF-UHFFFAOYSA-N
XLogP3.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.58
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-p-Tolylamino-thiazol-4-one
CID 135411781
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one
CID 135566336
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
5-Methyl-5-(propan-2-yl)-2-{[2-(trifluoromethyl)phenyl]amino}-4,5-dihydro-1,3-thiazol-4-one
CID 135678109
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-((2,4-Dimethylphenyl)amino)-4,5-dihydro-1,3-thiazol-4-one
CID 135415560
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
2-(3,5-Dimethyl-phenylimino)-thiazolidin-4-one
CID 135459529
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
5-Isopropyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135414361
2-Anilino-5-isopropyl-thiazol-4-one
CID 135425127

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135950129) is 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is CC(C)C1S/C(=N\c2ccccc2C(F)(F)F)NC1=O.
What is the InChIKey of 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is XZKSMGYATPQENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-6-4-3-5-8(9)13(14,15)16/h3-7,10H,1-2H3,(H,17,18,19).
What are the key properties of 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 302.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135950129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).