5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one

C20H28F3N3OS — CID 10597953

IUPAC5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESCC1(C)SCN(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O
InChIInChI=1S/C20H28F3N3OS/c1-19(2)18(27)26(15-28-19)9-4-3-8-24-10-12-25(13-11-24)17-7-5-6-16(14-17)20(21,22)23/h5-7,14H,3-4,8-13,15H2,1-2H3
InChIKeyQSNJCJGBMAHIQV-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.92
Rot. Bonds6

About 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one

5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (PubChem CID 10597953) has the molecular formula C20H28F3N3OS and a molecular weight of 415.53 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
PubChem CID10597953
Molecular FormulaC20H28F3N3OS
Molecular Weight415.53 g/mol
Exact Mass415.19
IUPAC Name5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESCC1(C)SCN(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O
InChIInChI=1S/C20H28F3N3OS/c1-19(2)18(27)26(15-28-19)9-4-3-8-24-10-12-25(13-11-24)17-7-5-6-16(14-17)20(21,22)23/h5-7,14H,3-4,8-13,15H2,1-2H3
InChIKeyQSNJCJGBMAHIQV-UHFFFAOYSA-N
XLogP3.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (CID 10597953) is 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is CC1(C)SCN(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The InChIKey is QSNJCJGBMAHIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3OS/c1-19(2)18(27)26(15-28-19)9-4-3-8-24-10-12-25(13-11-24)17-7-5-6-16(14-17)20(21,22)23/h5-7,14H,3-4,8-13,15H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one has a molecular weight of 415.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10597953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).