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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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).