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

C11H14F3N3O2S — CID 86990295

IUPAC1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-19-7-9(18)16-2-4-17(5-3-16)10-15-1-6-20-10/h1,6H,2-5,7-8H2
InChIKeyPYDXAJFRJYTNOO-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.37
Rot. Bonds4

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

1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 86990295) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID86990295
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-19-7-9(18)16-2-4-17(5-3-16)10-15-1-6-20-10/h1,6H,2-5,7-8H2
InChIKeyPYDXAJFRJYTNOO-UHFFFAOYSA-N
XLogP1.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 1948390
N-2-Thiazolyl-4-morpholineacetamide
CID 687268
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide
CID 75373720
2,2,2-trifluoro-N-(2-hydroxyacetyl)-N-(1,3-thiazol-2-yl)acetamide
CID 178067218
1-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45819791
N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45863371
3,3,3-Trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 51078833
N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53521327
2-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53530005
N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60555299
2,2,2-Trifluoro-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 62646443
2,2,2-Trifluoroethyl 4-(1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 65173483

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 86990295) is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCN(c2nccs2)CC1.
What is the InChIKey of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is PYDXAJFRJYTNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c12-11(13,14)8-19-7-9(18)16-2-4-17(5-3-16)10-15-1-6-20-10/h1,6H,2-5,7-8H2.
What are the key properties of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 309.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 86990295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).