2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole

C9H12F3N3S — CID 21100172

IUPAC2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1csc(N2CCNCC2)n1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)5-7-6-16-8(14-7)15-3-1-13-2-4-15/h6,13H,1-5H2
InChIKeyISYQYPJZIUEAIS-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.66
Rot. Bonds2

About 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole

2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 21100172) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID21100172
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1csc(N2CCNCC2)n1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)5-7-6-16-8(14-7)15-3-1-13-2-4-15/h6,13H,1-5H2
InChIKeyISYQYPJZIUEAIS-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-1,3-thiazol-2-yl)piperazine
CID 14479872
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazine
CID 13747810
2-Methyl-1-(4-methyl-1,3-thiazol-2-yl)piperazine
CID 54592591
2-Isopropylamino-4-ethylthiazole
CID 58336980
4-Methyl-1-(4-trifluoromethyl-2-thiazolyl)-piperazine
CID 13747809
2-Piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 23149828
4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 58111294
2-Piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 68716949
1-(4-Trifluoromethylthiazol-2-yl)piperidin-4-ylamine
CID 69066579
(R)-1-(4-Trifluoromethylthiazol-2-yl)pyrrolidin-3-ylamine
CID 69070055
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 69070056
4-Ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
CID 70954946

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 21100172) is 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole is FC(F)(F)Cc1csc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is ISYQYPJZIUEAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)5-7-6-16-8(14-7)15-3-1-13-2-4-15/h6,13H,1-5H2.
What are the key properties of 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole?
2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 251.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 21100172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).