1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone

C11H14F3N3OS — CID 62967408

IUPAC1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H14F3N3OS/c1-8(18)9-6-15-10(19-9)17-4-2-16(3-5-17)7-11(12,13)14/h6H,2-5,7H2,1H3
InChIKeyYVMJOBYBEOQJTQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.03
Rot. Bonds3

About 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone

1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone (PubChem CID 62967408) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
PubChem CID62967408
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H14F3N3OS/c1-8(18)9-6-15-10(19-9)17-4-2-16(3-5-17)7-11(12,13)14/h6H,2-5,7H2,1H3
InChIKeyYVMJOBYBEOQJTQ-UHFFFAOYSA-N
XLogP2.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone (CID 62967408) is 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is YVMJOBYBEOQJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-8(18)9-6-15-10(19-9)17-4-2-16(3-5-17)7-11(12,13)14/h6H,2-5,7H2,1H3.
What are the key properties of 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone?
1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 293.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62967408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).