2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole

C13H13F3N4S — CID 141162301

IUPAC2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(N2CCC(c3nccs3)CC2)ncn1
InChIInChI=1S/C13H13F3N4S/c14-13(15,16)10-7-11(19-8-18-10)20-4-1-9(2-5-20)12-17-3-6-21-12/h3,6-9H,1-2,4-5H2
InChIKeyJTOAHMUBYJMLBT-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.34
Rot. Bonds2

About 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole

2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole (PubChem CID 141162301) has the molecular formula C13H13F3N4S and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole
PubChem CID141162301
Molecular FormulaC13H13F3N4S
Molecular Weight314.34 g/mol
Exact Mass314.08
IUPAC Name2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole
SMILESFC(F)(F)c1cc(N2CCC(c3nccs3)CC2)ncn1
InChIInChI=1S/C13H13F3N4S/c14-13(15,16)10-7-11(19-8-18-10)20-4-1-9(2-5-20)12-17-3-6-21-12/h3,6-9H,1-2,4-5H2
InChIKeyJTOAHMUBYJMLBT-UHFFFAOYSA-N
XLogP3.34
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole (CID 141162301) is 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole is FC(F)(F)c1cc(N2CCC(c3nccs3)CC2)ncn1.
What is the InChIKey of 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is JTOAHMUBYJMLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4S/c14-13(15,16)10-7-11(19-8-18-10)20-4-1-9(2-5-20)12-17-3-6-21-12/h3,6-9H,1-2,4-5H2.
What are the key properties of 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole?
2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 314.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 141162301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).