2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole

C11H16F3N3S — CID 63342732

IUPAC2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCCC(c1nc(C(F)(F)F)cs1)N1CCNCC1
InChIInChI=1S/C11H16F3N3S/c1-2-8(17-5-3-15-4-6-17)10-16-9(7-18-10)11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyXEXZKOMLBIJWOZ-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole

2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 63342732) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID63342732
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCCC(c1nc(C(F)(F)F)cs1)N1CCNCC1
InChIInChI=1S/C11H16F3N3S/c1-2-8(17-5-3-15-4-6-17)10-16-9(7-18-10)11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyXEXZKOMLBIJWOZ-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole (CID 63342732) is 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole is CCC(c1nc(C(F)(F)F)cs1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XEXZKOMLBIJWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-2-8(17-5-3-15-4-6-17)10-16-9(7-18-10)11(12,13)14/h7-8,15H,2-6H2,1H3.
What are the key properties of 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 279.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 63342732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).