1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one

C15H12F3N3O2S — CID 134161095

IUPAC1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)11-4-2-1-3-10(11)13(23)20-6-7-21(12(22)9-20)14-19-5-8-24-14/h1-5,8H,6-7,9H2
InChIKeyWXPPCFKZDOFHKS-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.65
Rot. Bonds2

About 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one

1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one (PubChem CID 134161095) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
PubChem CID134161095
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)11-4-2-1-3-10(11)13(23)20-6-7-21(12(22)9-20)14-19-5-8-24-14/h1-5,8H,6-7,9H2
InChIKeyWXPPCFKZDOFHKS-UHFFFAOYSA-N
XLogP2.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one (CID 134161095) is 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one is O=C(c1ccccc1C(F)(F)F)N1CCN(c2nccs2)C(=O)C1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one?
The InChIKey is WXPPCFKZDOFHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c16-15(17,18)11-4-2-1-3-10(11)13(23)20-6-7-21(12(22)9-20)14-19-5-8-24-14/h1-5,8H,6-7,9H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one?
1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one has a molecular weight of 355.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 134161095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).