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

C16H15F3N6S — CID 166237580

IUPAC2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-n2cc(-c3csc(N4CCNCC4)n3)nn2)c1
InChIInChI=1S/C16H15F3N6S/c17-16(18,19)11-2-1-3-12(8-11)25-9-13(22-23-25)14-10-26-15(21-14)24-6-4-20-5-7-24/h1-3,8-10,20H,4-7H2
InChIKeyKRHUJEWMPJBZAV-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.82
Rot. Bonds3

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

2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole (PubChem CID 166237580) has the molecular formula C16H15F3N6S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole
PubChem CID166237580
Molecular FormulaC16H15F3N6S
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1cccc(-n2cc(-c3csc(N4CCNCC4)n3)nn2)c1
InChIInChI=1S/C16H15F3N6S/c17-16(18,19)11-2-1-3-12(8-11)25-9-13(22-23-25)14-10-26-15(21-14)24-6-4-20-5-7-24/h1-3,8-10,20H,4-7H2
InChIKeyKRHUJEWMPJBZAV-UHFFFAOYSA-N
XLogP2.82
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine
CID 166230979
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride
CID 173041144
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol
CID 122668656
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
CID 117167604
1-[1-[3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119349202
4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole
CID 114080613
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[3-(trifluoromethyl)phenyl]triazole
CID 172644557
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
CID 11558854

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole (CID 166237580) is 2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole is FC(F)(F)c1cccc(-n2cc(-c3csc(N4CCNCC4)n3)nn2)c1.
What is the InChIKey of 2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole?
The InChIKey is KRHUJEWMPJBZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6S/c17-16(18,19)11-2-1-3-12(8-11)25-9-13(22-23-25)14-10-26-15(21-14)24-6-4-20-5-7-24/h1-3,8-10,20H,4-7H2.
What are the key properties of 2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole?
2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole has a molecular weight of 380.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 166237580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).