2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C13H14F3N5OS — CID 171701843

IUPAC2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cnc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)nc1
InChIInChI=1S/C13H14F3N5OS/c1-22-9-6-17-11(18-7-9)20-2-4-21(5-3-20)12-19-10(8-23-12)13(14,15)16/h6-8H,2-5H2,1H3
InChIKeyVYVOHLRHPBGYPX-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.29
Rot. Bonds3

About 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 171701843) has the molecular formula C13H14F3N5OS and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID171701843
Molecular FormulaC13H14F3N5OS
Molecular Weight345.35 g/mol
Exact Mass345.09
IUPAC Name2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cnc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)nc1
InChIInChI=1S/C13H14F3N5OS/c1-22-9-6-17-11(18-7-9)20-2-4-21(5-3-20)12-19-10(8-23-12)13(14,15)16/h6-8H,2-5H2,1H3
InChIKeyVYVOHLRHPBGYPX-UHFFFAOYSA-N
XLogP2.29
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 171701843) is 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is COc1cnc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)nc1.
What is the InChIKey of 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VYVOHLRHPBGYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5OS/c1-22-9-6-17-11(18-7-9)20-2-4-21(5-3-20)12-19-10(8-23-12)13(14,15)16/h6-8H,2-5H2,1H3.
What are the key properties of 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 345.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 171701843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).