2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

C11H14F3N3OS — CID 60707711

IUPAC2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CN2CCN(C(=O)C(F)(F)F)CC2)cs1
InChIInChI=1S/C11H14F3N3OS/c1-8-15-9(7-19-8)6-16-2-4-17(5-3-16)10(18)11(12,13)14/h7H,2-6H2,1H3
InChIKeyHHSUAQVOMFSTHU-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.66
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 60707711) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID60707711
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CN2CCN(C(=O)C(F)(F)F)CC2)cs1
InChIInChI=1S/C11H14F3N3OS/c1-8-15-9(7-19-8)6-16-2-4-17(5-3-16)10(18)11(12,13)14/h7H,2-6H2,1H3
InChIKeyHHSUAQVOMFSTHU-UHFFFAOYSA-N
XLogP1.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 60707711) is 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is Cc1nc(CN2CCN(C(=O)C(F)(F)F)CC2)cs1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is HHSUAQVOMFSTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-8-15-9(7-19-8)6-16-2-4-17(5-3-16)10(18)11(12,13)14/h7H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 293.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 60707711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).