2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane

C11H18F3N3S — CID 176993349

IUPAC2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane
SMILESCCC.FC(F)(F)c1csc(N2CCNCC2)n1
InChIInChI=1S/C8H10F3N3S.C3H8/c9-8(10,11)6-5-15-7(13-6)14-3-1-12-2-4-14;1-3-2/h5,12H,1-4H2;3H2,1-2H3
InChIKeyIESFORMIYFVJFJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.99
Rot. Bonds1

About 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane

2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane (PubChem CID 176993349) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane
PubChem CID176993349
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane
SMILESCCC.FC(F)(F)c1csc(N2CCNCC2)n1
InChIInChI=1S/C8H10F3N3S.C3H8/c9-8(10,11)6-5-15-7(13-6)14-3-1-12-2-4-14;1-3-2/h5,12H,1-4H2;3H2,1-2H3
InChIKeyIESFORMIYFVJFJ-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane?
The IUPAC name of 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane (CID 176993349) is 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane.
What is the SMILES notation for 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane?
The canonical SMILES for 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane is CCC.FC(F)(F)c1csc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane?
The InChIKey is IESFORMIYFVJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S.C3H8/c9-8(10,11)6-5-15-7(13-6)14-3-1-12-2-4-14;1-3-2/h5,12H,1-4H2;3H2,1-2H3.
What are the key properties of 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane?
2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane has a molecular weight of 281.35 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;propane is sourced from PubChem (CID 176993349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).