3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

C19H19F3N2O2S — CID 3860254

IUPAC3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(CN2C(=O)CSC2c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C19H19F3N2O2S/c1-23(2)15-8-6-13(7-9-15)11-24-17(25)12-27-18(24)14-4-3-5-16(10-14)26-19(20,21)22/h3-10,18H,11-12H2,1-2H3
InChIKeyLGGLVHJPHZNLPL-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.43
Rot. Bonds5

About 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3860254) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID3860254
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(CN2C(=O)CSC2c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C19H19F3N2O2S/c1-23(2)15-8-6-13(7-9-15)11-24-17(25)12-27-18(24)14-4-3-5-16(10-14)26-19(20,21)22/h3-10,18H,11-12H2,1-2H3
InChIKeyLGGLVHJPHZNLPL-UHFFFAOYSA-N
XLogP4.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3749516
3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3836068
3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3304214
3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3688527
2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide
CID 87994774
3-(4-pyrrolidin-1-ylbutyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 21103369
3-[2-(cyclohexen-1-yl)ethyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 21103355
2-(2,4-dimethoxyphenyl)-3-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazolidin-4-one
CID 3594994
3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 3684457
benzyl 2-[[2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3835721
2-[2-(3-bromophenyl)-1,3-dioxol-4-yl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
CID 87150990
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (CID 3860254) is 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is CN(C)c1ccc(CN2C(=O)CSC2c2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is LGGLVHJPHZNLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c1-23(2)15-8-6-13(7-9-15)11-24-17(25)12-27-18(24)14-4-3-5-16(10-14)26-19(20,21)22/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 396.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3860254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).