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

C13H13F3N2O2S — CID 136595581

IUPAC(5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C/N=C1\NC(=O)[C@](C)(C(F)(F)F)S1
InChIInChI=1S/C13H13F3N2O2S/c1-12(13(14,15)16)10(19)18-11(21-12)17-7-8-5-3-4-6-9(8)20-2/h3-6H,7H2,1-2H3,(H,17,18,19)/t12-/m1/s1
InChIKeyZRTJITOGLUEPER-GFCCVEGCSA-N
MW318.32 g/mol
LogP2.74
Rot. Bonds3

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

(5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (PubChem CID 136595581) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is (5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
PubChem CID136595581
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name(5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C/N=C1\NC(=O)[C@](C)(C(F)(F)F)S1
InChIInChI=1S/C13H13F3N2O2S/c1-12(13(14,15)16)10(19)18-11(21-12)17-7-8-5-3-4-6-9(8)20-2/h3-6H,7H2,1-2H3,(H,17,18,19)/t12-/m1/s1
InChIKeyZRTJITOGLUEPER-GFCCVEGCSA-N
XLogP2.74
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
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
N-(2-fluorophenyl)-2-[(5R)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836367
N-[(2-methoxyphenyl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819457
1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135673076
1-(azidomethyl)-2-methoxybenzene
CID 11263685
5-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidine-2,4-dione
CID 114239606
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 143860168
5-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135735938
(2R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol;4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol
CID 158657667
2-[(1S)-1-(2,3-dihydro-1,3-thiazol-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 162583157

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one (CID 136595581) is (5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is COc1ccccc1C/N=C1\NC(=O)[C@](C)(C(F)(F)F)S1.
What is the InChIKey of (5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The InChIKey is ZRTJITOGLUEPER-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c1-12(13(14,15)16)10(19)18-11(21-12)17-7-8-5-3-4-6-9(8)20-2/h3-6H,7H2,1-2H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of (5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
(5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one has a molecular weight of 318.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(2-methoxyphenyl)methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 136595581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).