2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride

C9H13ClF3N3S — CID 69099008

IUPAC2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
SMILESCC1CNCC(c2nccs2)N1C(F)(F)F.Cl
InChIInChI=1S/C9H12F3N3S.ClH/c1-6-4-13-5-7(8-14-2-3-16-8)15(6)9(10,11)12;/h2-3,6-7,13H,4-5H2,1H3;1H
InChIKeyGHPFHBRKHIXSNH-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.42
Rot. Bonds1

About 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride

2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride (PubChem CID 69099008) has the molecular formula C9H13ClF3N3S and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
PubChem CID69099008
Molecular FormulaC9H13ClF3N3S
Molecular Weight287.74 g/mol
Exact Mass287.05
IUPAC Name2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
SMILESCC1CNCC(c2nccs2)N1C(F)(F)F.Cl
InChIInChI=1S/C9H12F3N3S.ClH/c1-6-4-13-5-7(8-14-2-3-16-8)15(6)9(10,11)12;/h2-3,6-7,13H,4-5H2,1H3;1H
InChIKeyGHPFHBRKHIXSNH-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[1-(Trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69098575
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-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721479
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile
CID 118297230

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride (CID 69099008) is 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride is CC1CNCC(c2nccs2)N1C(F)(F)F.Cl.
What is the InChIKey of 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride?
The InChIKey is GHPFHBRKHIXSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S.ClH/c1-6-4-13-5-7(8-14-2-3-16-8)15(6)9(10,11)12;/h2-3,6-7,13H,4-5H2,1H3;1H.
What are the key properties of 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride?
2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride has a molecular weight of 287.74 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 69099008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).