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

C14H14F3N3OS — CID 141162299

IUPAC2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)21-12-3-1-11(2-4-12)19-6-8-20(9-7-19)13-18-5-10-22-13/h1-5,10H,6-9H2
InChIKeyTUUWLEKQGXMAPC-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.37
Rot. Bonds3

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

2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 141162299) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole
PubChem CID141162299
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)21-12-3-1-11(2-4-12)19-6-8-20(9-7-19)13-18-5-10-22-13/h1-5,10H,6-9H2
InChIKeyTUUWLEKQGXMAPC-UHFFFAOYSA-N
XLogP3.37
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole (CID 141162299) is 2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole is FC(F)(F)Oc1ccc(N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is TUUWLEKQGXMAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)21-12-3-1-11(2-4-12)19-6-8-20(9-7-19)13-18-5-10-22-13/h1-5,10H,6-9H2.
What are the key properties of 2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 329.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 141162299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).