2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole

C13H14F3N5S — CID 69327559

IUPAC2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nccc(N2CCN(Cc3nccs3)CC2)n1
InChIInChI=1S/C13H14F3N5S/c14-13(15,16)12-18-2-1-10(19-12)21-6-4-20(5-7-21)9-11-17-3-8-22-11/h1-3,8H,4-7,9H2
InChIKeyHWOAVUYHUWUVAW-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.27
Rot. Bonds3

About 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole

2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 69327559) has the molecular formula C13H14F3N5S and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID69327559
Molecular FormulaC13H14F3N5S
Molecular Weight329.35 g/mol
Exact Mass329.09
IUPAC Name2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nccc(N2CCN(Cc3nccs3)CC2)n1
InChIInChI=1S/C13H14F3N5S/c14-13(15,16)12-18-2-1-10(19-12)21-6-4-20(5-7-21)9-11-17-3-8-22-11/h1-3,8H,4-7,9H2
InChIKeyHWOAVUYHUWUVAW-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 69327559) is 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1nccc(N2CCN(Cc3nccs3)CC2)n1.
What is the InChIKey of 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is HWOAVUYHUWUVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5S/c14-13(15,16)12-18-2-1-10(19-12)21-6-4-20(5-7-21)9-11-17-3-8-22-11/h1-3,8H,4-7,9H2.
What are the key properties of 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole?
2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 329.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 69327559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).