2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C15H15F3N4OS — CID 91631562

IUPAC2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccsc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H15F3N4OS/c16-15(17,18)12-8-13(20-10-19-12)21-2-4-22(5-3-21)14(23)7-11-1-6-24-9-11/h1,6,8-10H,2-5,7H2
InChIKeyXZBBWZWPUSUHER-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.45
Rot. Bonds3

About 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 91631562) has the molecular formula C15H15F3N4OS and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID91631562
Molecular FormulaC15H15F3N4OS
Molecular Weight356.37 g/mol
Exact Mass356.09
IUPAC Name2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccsc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H15F3N4OS/c16-15(17,18)12-8-13(20-10-19-12)21-2-4-22(5-3-21)14(23)7-11-1-6-24-9-11/h1,6,8-10H,2-5,7H2
InChIKeyXZBBWZWPUSUHER-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 91631562) is 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is O=C(Cc1ccsc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is XZBBWZWPUSUHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4OS/c16-15(17,18)12-8-13(20-10-19-12)21-2-4-22(5-3-21)14(23)7-11-1-6-24-9-11/h1,6,8-10H,2-5,7H2.
What are the key properties of 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 356.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 91631562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).