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

C14H14F3N3OS — CID 91381008

IUPAC4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(N2CCN(c3cscn3)CC2)cc1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)21-12-3-1-11(2-4-12)19-5-7-20(8-6-19)13-9-22-10-18-13/h1-4,9-10H,5-8H2
InChIKeyJXEVCCNUOCKSME-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.37
Rot. Bonds3

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

4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 91381008) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole
PubChem CID91381008
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(N2CCN(c3cscn3)CC2)cc1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)21-12-3-1-11(2-4-12)19-5-7-20(8-6-19)13-9-22-10-18-13/h1-4,9-10H,5-8H2
InChIKeyJXEVCCNUOCKSME-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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Related Compounds

2-[4-(4-Methoxyphenyl)piperazin-1-yl]-1,3-thiazole
CID 2456357
1,1,1,3,3,3-Hexafluoro-2-(2-(4-(4-methoxyphenyl)piperazin-1-yl)thiazol-5-yl)propan-2-ol
CID 52949298
6-(2-methylthiazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 42635644
(4-Methoxy-phenyl)thiazol-2-yl-amine
CID 956680
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 6986894
2-Methyl-4-[[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 59726224
N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethoxy)aniline
CID 60685216
N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazin-4-ium-2-amine
CID 66583268
4-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-4-ium-2-amine
CID 66583434
N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide
CID 87960107
N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine
CID 91092183
N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine
CID 91163229

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole (CID 91381008) is 4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole is FC(F)(F)Oc1ccc(N2CCN(c3cscn3)CC2)cc1.
What is the InChIKey of 4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is JXEVCCNUOCKSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)21-12-3-1-11(2-4-12)19-5-7-20(8-6-19)13-9-22-10-18-13/h1-4,9-10H,5-8H2.
What are the key properties of 4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole?
4-[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 4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 91381008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).