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

C18H24F3N3OS — CID 10715251

IUPAC3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)15-4-3-5-16(12-15)23-10-8-22(9-11-23)6-1-2-7-24-14-26-13-17(24)25/h3-5,12H,1-2,6-11,13-14H2
InChIKeySUIWRRCXSBMAQI-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.14
Rot. Bonds6

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

3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (PubChem CID 10715251) has the molecular formula C18H24F3N3OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
PubChem CID10715251
Molecular FormulaC18H24F3N3OS
Molecular Weight387.47 g/mol
Exact Mass387.16
IUPAC Name3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)15-4-3-5-16(12-15)23-10-8-22(9-11-23)6-1-2-7-24-14-26-13-17(24)25/h3-5,12H,1-2,6-11,13-14H2
InChIKeySUIWRRCXSBMAQI-UHFFFAOYSA-N
XLogP3.14
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.14
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 3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (CID 10715251) is 3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is O=C1CSCN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The InChIKey is SUIWRRCXSBMAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3OS/c19-18(20,21)15-4-3-5-16(12-15)23-10-8-22(9-11-23)6-1-2-7-24-14-26-13-17(24)25/h3-5,12H,1-2,6-11,13-14H2.
What are the key properties of 3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one has a molecular weight of 387.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10715251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).