2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole

C8H9ClF3N3S — CID 69098598

IUPAC2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole
SMILESFC(F)(F)N1C(Cl)CNCC1c1nccs1
InChIInChI=1S/C8H9ClF3N3S/c9-6-4-13-3-5(7-14-1-2-16-7)15(6)8(10,11)12/h1-2,5-6,13H,3-4H2
InChIKeyHFMCNHDNJQHHSA-UHFFFAOYSA-N
MW271.69 g/mol
LogP2.17
Rot. Bonds1

About 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole

2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole (PubChem CID 69098598) has the molecular formula C8H9ClF3N3S and a molecular weight of 271.69 g/mol. Its IUPAC name is 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole
PubChem CID69098598
Molecular FormulaC8H9ClF3N3S
Molecular Weight271.69 g/mol
Exact Mass271.02
IUPAC Name2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole
SMILESFC(F)(F)N1C(Cl)CNCC1c1nccs1
InChIInChI=1S/C8H9ClF3N3S/c9-6-4-13-3-5(7-14-1-2-16-7)15(6)8(10,11)12/h1-2,5-6,13H,3-4H2
InChIKeyHFMCNHDNJQHHSA-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1,3-Thiazol-2-yl)ethyl]piperazine
CID 45789030
2-[1-(Trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69098575
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)ethanamine
CID 118297231
3-(2-Thiazolyl)thiomorpholine
CID 75481224
N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61284047
N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63242529
2,2-difluoro-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 64481221
N-(2,2-difluoroethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64481589
1-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64482803
[1-(1,3-Thiazol-2-yl)ethyl](2,2,2-trifluoroethyl)amine
CID 64483029

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole (CID 69098598) is 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole is FC(F)(F)N1C(Cl)CNCC1c1nccs1.
What is the InChIKey of 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole?
The InChIKey is HFMCNHDNJQHHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3S/c9-6-4-13-3-5(7-14-1-2-16-7)15(6)8(10,11)12/h1-2,5-6,13H,3-4H2.
What are the key properties of 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole?
2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole has a molecular weight of 271.69 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 69098598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).