3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one

C22H20F3N3O2S — CID 10275490

IUPAC3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1CCCn1ccnc1
InChIInChI=1S/C22H20F3N3O2S/c23-22(24,25)17-5-2-7-19(13-17)30-18-6-1-4-16(12-18)21-28(20(29)14-31-21)10-3-9-27-11-8-26-15-27/h1-2,4-8,11-13,15,21H,3,9-10,14H2
InChIKeyDSJBETWKFGRMTE-UHFFFAOYSA-N
MW447.48 g/mol
LogP5.36
Rot. Bonds7

About 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one

3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one (PubChem CID 10275490) has the molecular formula C22H20F3N3O2S and a molecular weight of 447.48 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one
PubChem CID10275490
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.48 g/mol
Exact Mass447.12
IUPAC Name3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1CCCn1ccnc1
InChIInChI=1S/C22H20F3N3O2S/c23-22(24,25)17-5-2-7-19(13-17)30-18-6-1-4-16(12-18)21-28(20(29)14-31-21)10-3-9-27-11-8-26-15-27/h1-2,4-8,11-13,15,21H,3,9-10,14H2
InChIKeyDSJBETWKFGRMTE-UHFFFAOYSA-N
XLogP5.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 4220193
3-(4-pyrrolidin-1-ylbutyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 21103369
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
3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2826058
3-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3781995
(3S,5R)-1-(2-imidazol-1-ylethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129471341
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3871494
3-(3-imidazol-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3847585
2-[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-3-yl]acetamide
CID 87994774

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one (CID 10275490) is 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1CCCn1ccnc1.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one?
The InChIKey is DSJBETWKFGRMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2S/c23-22(24,25)17-5-2-7-19(13-17)30-18-6-1-4-16(12-18)21-28(20(29)14-31-21)10-3-9-27-11-8-26-15-27/h1-2,4-8,11-13,15,21H,3,9-10,14H2.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one?
3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one has a molecular weight of 447.48 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-2-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10275490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).