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

C12H16F3N3O2S — CID 86991316

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1csc(N2CCN(C(=O)COCC(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N3O2S/c1-9-7-21-11(16-9)18-4-2-17(3-5-18)10(19)6-20-8-12(13,14)15/h7H,2-6,8H2,1H3
InChIKeyRUJSPIBMLYNDFV-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.68
Rot. Bonds4

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

1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 86991316) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID86991316
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1csc(N2CCN(C(=O)COCC(F)(F)F)CC2)n1
InChIInChI=1S/C12H16F3N3O2S/c1-9-7-21-11(16-9)18-4-2-17(3-5-18)10(19)6-20-8-12(13,14)15/h7H,2-6,8H2,1H3
InChIKeyRUJSPIBMLYNDFV-UHFFFAOYSA-N
XLogP1.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one
CID 119851657
2-(2-methoxyethylamino)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119851720
2-(6-methyl-3-pyridinyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 56817567
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 56545723
(2S)-2-amino-3,3-dimethyl-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119851692
1-(4-pyridazin-3-ylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 154739983
3-(2-aminophenyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 120612449
4-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 35166428
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119851715
1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 60573249
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
CID 97339533

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 86991316) is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is Cc1csc(N2CCN(C(=O)COCC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is RUJSPIBMLYNDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-9-7-21-11(16-9)18-4-2-17(3-5-18)10(19)6-20-8-12(13,14)15/h7H,2-6,8H2,1H3.
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 323.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 86991316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).