2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

C9H10F3N3OS — CID 141447757

IUPAC2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESO=C(c1cnc(N2CCNCC2)s1)C(F)(F)F
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)7(16)6-5-14-8(17-6)15-3-1-13-2-4-15/h5,13H,1-4H2
InChIKeyFPFKRHXQDVERPT-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.30
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 141447757) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
PubChem CID141447757
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESO=C(c1cnc(N2CCNCC2)s1)C(F)(F)F
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)7(16)6-5-14-8(17-6)15-3-1-13-2-4-15/h5,13H,1-4H2
InChIKeyFPFKRHXQDVERPT-UHFFFAOYSA-N
XLogP1.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (CID 141447757) is 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is O=C(c1cnc(N2CCNCC2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is FPFKRHXQDVERPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)7(16)6-5-14-8(17-6)15-3-1-13-2-4-15/h5,13H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 265.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 141447757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).