2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C10H12F3N3OS — CID 106784658

IUPAC2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(CN1CCNCC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)9-15-5-8(18-9)7(17)6-16-3-1-14-2-4-16/h5,14H,1-4,6H2
InChIKeyPZFOZQYWERVKBZ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.25
Rot. Bonds3

About 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106784658) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID106784658
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESO=C(CN1CCNCC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)9-15-5-8(18-9)7(17)6-16-3-1-14-2-4-16/h5,14H,1-4,6H2
InChIKeyPZFOZQYWERVKBZ-UHFFFAOYSA-N
XLogP1.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 106784658) is 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is O=C(CN1CCNCC1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is PZFOZQYWERVKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)9-15-5-8(18-9)7(17)6-16-3-1-14-2-4-16/h5,14H,1-4,6H2.
What are the key properties of 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 279.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106784658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).