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

C15H17F3N2O2S — CID 143468417

IUPAC5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
SMILESCC1(CCCO)S/C(=N/Cc2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C15H17F3N2O2S/c1-14(7-4-8-21)12(22)20-13(23-14)19-9-10-5-2-3-6-11(10)15(16,17)18/h2-3,5-6,21H,4,7-9H2,1H3,(H,19,20,22)
InChIKeyNXOPPTZERZZUKS-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.96
Rot. Bonds5

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

5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one (PubChem CID 143468417) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
PubChem CID143468417
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC Name5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
SMILESCC1(CCCO)S/C(=N/Cc2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C15H17F3N2O2S/c1-14(7-4-8-21)12(22)20-13(23-14)19-9-10-5-2-3-6-11(10)15(16,17)18/h2-3,5-6,21H,4,7-9H2,1H3,(H,19,20,22)
InChIKeyNXOPPTZERZZUKS-UHFFFAOYSA-N
XLogP2.96
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.96
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

(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
CID 162583178
5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
CID 143147192
5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989146
(5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 136595581
4-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butan-1-ol
CID 110931579
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135611137
5-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989057
5-[difluoro(pyridin-4-yl)methyl]-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one
CID 135989844
1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22248330
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
The IUPAC name of 5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one (CID 143468417) is 5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one is CC1(CCCO)S/C(=N/Cc2ccccc2C(F)(F)F)NC1=O.
What is the InChIKey of 5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
The InChIKey is NXOPPTZERZZUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c1-14(7-4-8-21)12(22)20-13(23-14)19-9-10-5-2-3-6-11(10)15(16,17)18/h2-3,5-6,21H,4,7-9H2,1H3,(H,19,20,22).
What are the key properties of 5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one?
5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one has a molecular weight of 346.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 143468417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).