2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride

C8H11ClF3N3S — CID 21100200

IUPAC2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C8H10F3N3S.ClH/c9-8(10,11)6-5-13-7(15-6)14-3-1-12-2-4-14;/h5,12H,1-4H2;1H
InChIKeyKEPLQCGIWUFIIN-UHFFFAOYSA-N
MW273.71 g/mol
LogP1.99
Rot. Bonds1

About 2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride

2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride (PubChem CID 21100200) has the molecular formula C8H11ClF3N3S and a molecular weight of 273.71 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
PubChem CID21100200
Molecular FormulaC8H11ClF3N3S
Molecular Weight273.71 g/mol
Exact Mass273.03
IUPAC Name2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C8H10F3N3S.ClH/c9-8(10,11)6-5-13-7(15-6)14-3-1-12-2-4-14;/h5,12H,1-4H2;1H
InChIKeyKEPLQCGIWUFIIN-UHFFFAOYSA-N
XLogP1.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 51.99
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-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride (CID 21100200) is 2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride is Cl.FC(F)(F)c1cnc(N2CCNCC2)s1.
What is the InChIKey of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
The InChIKey is KEPLQCGIWUFIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S.ClH/c9-8(10,11)6-5-13-7(15-6)14-3-1-12-2-4-14;/h5,12H,1-4H2;1H.
What are the key properties of 2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride?
2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole;hydrochloride has a molecular weight of 273.71 g/mol, XLogP of 1.99, 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-5-(trifluoromethyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 21100200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).