2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone

C10H10F3N3O2S — CID 59626129

IUPAC2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1nccs1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H10F3N3O2S/c11-10(12,13)9(18)16-4-2-15(3-5-16)8(17)7-14-1-6-19-7/h1,6H,2-5H2
InChIKeyGFYPFBFJLAILTJ-UHFFFAOYSA-N
MW293.27 g/mol
LogP0.99
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 59626129) has the molecular formula C10H10F3N3O2S and a molecular weight of 293.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID59626129
Molecular FormulaC10H10F3N3O2S
Molecular Weight293.27 g/mol
Exact Mass293.04
IUPAC Name2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1nccs1)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H10F3N3O2S/c11-10(12,13)9(18)16-4-2-15(3-5-16)8(17)7-14-1-6-19-7/h1,6H,2-5H2
InChIKeyGFYPFBFJLAILTJ-UHFFFAOYSA-N
XLogP0.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Diethyl-2-thiazolecarboxamide
CID 110695970
2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 62492184
(2-Methoxyethyl)[2-(4-methylpiperazin-1-yl)-2-oxoethyl](1,3-thiazol-2-ylmethyl)amine
CID 91831618
2-[(N-trifluoroacetylglycyl)amino]methylthiazole
CID 22916669
2-(N-methyl-N-trifluoroacetylaminomethylcarbonyl)aminomethylthiazole
CID 22916734
Piperazin-1-yl(1,3-thiazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 66771808
N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 83406108
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1,3-thiazole-2-carboxamide
CID 147490244
2-Fluoro-2-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]propanal
CID 174656226
N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 176758972
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 42793339
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957989

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone (CID 59626129) is 2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone is O=C(c1nccs1)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is GFYPFBFJLAILTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S/c11-10(12,13)9(18)16-4-2-15(3-5-16)8(17)7-14-1-6-19-7/h1,6H,2-5H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 293.27 g/mol, XLogP of 0.99, 1 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-(1,3-thiazole-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 59626129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).