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

C13H14F3N5S — CID 31981666

IUPAC4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C13H14F3N5S/c1-9-8-22-12(18-9)21-6-4-20(5-7-21)11-17-3-2-10(19-11)13(14,15)16/h2-3,8H,4-7H2,1H3
InChIKeyFTZUVZDMTQDIRU-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.59
Rot. Bonds2

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

4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole (PubChem CID 31981666) has the molecular formula C13H14F3N5S and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
PubChem CID31981666
Molecular FormulaC13H14F3N5S
Molecular Weight329.35 g/mol
Exact Mass329.09
IUPAC Name4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C13H14F3N5S/c1-9-8-22-12(18-9)21-6-4-20(5-7-21)11-17-3-2-10(19-11)13(14,15)16/h2-3,8H,4-7H2,1H3
InChIKeyFTZUVZDMTQDIRU-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole (CID 31981666) is 4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole is Cc1csc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is FTZUVZDMTQDIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5S/c1-9-8-22-12(18-9)21-6-4-20(5-7-21)11-17-3-2-10(19-11)13(14,15)16/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 329.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 31981666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).