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

C11H15F3N4OS — CID 78924282

IUPAC1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)8-15-7-9(19)17-2-4-18(5-3-17)10-16-1-6-20-10/h1,6,15H,2-5,7-8H2
InChIKeyJKFMJXPBNSXJOQ-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.94
Rot. Bonds4

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

1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78924282) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78924282
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)8-15-7-9(19)17-2-4-18(5-3-17)10-16-1-6-20-10/h1,6,15H,2-5,7-8H2
InChIKeyJKFMJXPBNSXJOQ-UHFFFAOYSA-N
XLogP0.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 78924282) is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(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-trifluoroethylamino)ethanone?
The InChIKey is JKFMJXPBNSXJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c12-11(13,14)8-15-7-9(19)17-2-4-18(5-3-17)10-16-1-6-20-10/h1,6,15H,2-5,7-8H2.
What are the key properties of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 308.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 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-trifluoroethylamino)ethanone is sourced from PubChem (CID 78924282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).