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

C14H13F3N4OS — CID 91631554

IUPACthiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H13F3N4OS/c15-14(16,17)11-7-12(19-9-18-11)20-2-4-21(5-3-20)13(22)10-1-6-23-8-10/h1,6-9H,2-5H2
InChIKeyCXLIUHWGZRKAHD-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.52
Rot. Bonds2

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

thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631554) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631554
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC Namethiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H13F3N4OS/c15-14(16,17)11-7-12(19-9-18-11)20-2-4-21(5-3-20)13(22)10-1-6-23-8-10/h1,6-9H,2-5H2
InChIKeyCXLIUHWGZRKAHD-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631554) is thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(c1ccsc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is CXLIUHWGZRKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4OS/c15-14(16,17)11-7-12(19-9-18-11)20-2-4-21(5-3-20)13(22)10-1-6-23-8-10/h1,6-9H,2-5H2.
What are the key properties of thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 342.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).