2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole

C15H16F3N3S — CID 3817133

IUPAC2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3nccs3)CC2)c1
InChIInChI=1S/C15H16F3N3S/c16-15(17,18)12-2-1-3-13(10-12)21-7-5-20(6-8-21)11-14-19-4-9-22-14/h1-4,9-10H,5-8,11H2
InChIKeyIFJOKNSPCVWKNN-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.48
Rot. Bonds3

About 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole

2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 3817133) has the molecular formula C15H16F3N3S and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID3817133
Molecular FormulaC15H16F3N3S
Molecular Weight327.38 g/mol
Exact Mass327.10
IUPAC Name2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(N2CCN(Cc3nccs3)CC2)c1
InChIInChI=1S/C15H16F3N3S/c16-15(17,18)12-2-1-3-13(10-12)21-7-5-20(6-8-21)11-14-19-4-9-22-14/h1-4,9-10H,5-8,11H2
InChIKeyIFJOKNSPCVWKNN-UHFFFAOYSA-N
XLogP3.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole (CID 3817133) is 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1cccc(N2CCN(Cc3nccs3)CC2)c1.
What is the InChIKey of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is IFJOKNSPCVWKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3S/c16-15(17,18)12-2-1-3-13(10-12)21-7-5-20(6-8-21)11-14-19-4-9-22-14/h1-4,9-10H,5-8,11H2.
What are the key properties of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole?
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 327.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 3817133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).