(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one

C15H17F3N2O2S — CID 162583178

IUPAC(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
SMILESCC(C)(O)[C@@]1(C)S/C(=N/Cc2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C15H17F3N2O2S/c1-13(2,22)14(3)11(21)20-12(23-14)19-8-9-6-4-5-7-10(9)15(16,17)18/h4-7,22H,8H2,1-3H3,(H,19,20,21)/t14-/m0/s1
InChIKeyAXISTJITGOKOPW-AWEZNQCLSA-N
MW346.37 g/mol
LogP2.95
Rot. Bonds3

About (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one

(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one (PubChem CID 162583178) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
PubChem CID162583178
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC Name(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
SMILESCC(C)(O)[C@@]1(C)S/C(=N/Cc2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C15H17F3N2O2S/c1-13(2,22)14(3)11(21)20-12(23-14)19-8-9-6-4-5-7-10(9)15(16,17)18/h4-7,22H,8H2,1-3H3,(H,19,20,21)/t14-/m0/s1
InChIKeyAXISTJITGOKOPW-AWEZNQCLSA-N
XLogP2.95
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
CID 143468417
5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
CID 143147192
(5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 136595581
[(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]azanium
CID 143468171
5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989146
5-[difluoro(pyridin-4-yl)methyl]-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one
CID 135989844
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989057
1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22248330
5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135611137
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one (CID 162583178) is (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one is CC(C)(O)[C@@]1(C)S/C(=N/Cc2ccccc2C(F)(F)F)NC1=O.
What is the InChIKey of (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
The InChIKey is AXISTJITGOKOPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c1-13(2,22)14(3)11(21)20-12(23-14)19-8-9-6-4-5-7-10(9)15(16,17)18/h4-7,22H,8H2,1-3H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one has a molecular weight of 346.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162583178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).