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

C8H11ClF3N3S — CID 69098575

IUPAC2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)N1CCNCC1c1nccs1
InChIInChI=1S/C8H10F3N3S.ClH/c9-8(10,11)14-3-1-12-5-6(14)7-13-2-4-15-7;/h2,4,6,12H,1,3,5H2;1H
InChIKeyXIHQAXXKSMZPFQ-UHFFFAOYSA-N
MW273.71 g/mol
LogP2.03
Rot. Bonds1

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

2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride (PubChem CID 69098575) has the molecular formula C8H11ClF3N3S and a molecular weight of 273.71 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
PubChem CID69098575
Molecular FormulaC8H11ClF3N3S
Molecular Weight273.71 g/mol
Exact Mass273.03
IUPAC Name2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
SMILESCl.FC(F)(F)N1CCNCC1c1nccs1
InChIInChI=1S/C8H10F3N3S.ClH/c9-8(10,11)14-3-1-12-5-6(14)7-13-2-4-15-7;/h2,4,6,12H,1,3,5H2;1H
InChIKeyXIHQAXXKSMZPFQ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-Thiazol-2-yl)piperidine
CID 3625593
1-(1,3-Thiazol-2-yl)ethan-1-amine
CID 19896985
1-[1-(1,3-Thiazol-2-yl)ethyl]piperazine
CID 45789030
1-(1,3-Thiazol-2-yl)ethan-1-amine hydrochloride
CID 56777102
(1R)-1-(1,3-thiazol-2-yl)propan-1-amine dihydrochloride
CID 170911662
(1S)-1-(1,3-thiazol-2-yl)propan-1-amine dihydrochloride
CID 170912706
(alphaS)-alpha-Methyl-2-thiazolemethanamine
CID 10725371
2-[6-Chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole
CID 69098598
2-[6-Chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69098723
2-[6-Methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69099008
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile
CID 118297230
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 118297231

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride (CID 69098575) is 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride is Cl.FC(F)(F)N1CCNCC1c1nccs1.
What is the InChIKey of 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride?
The InChIKey is XIHQAXXKSMZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S.ClH/c9-8(10,11)14-3-1-12-5-6(14)7-13-2-4-15-7;/h2,4,6,12H,1,3,5H2;1H.
What are the key properties of 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride?
2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride has a molecular weight of 273.71 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 69098575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).