5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole

C10H11F6N3S — CID 123748006

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole
SMILESFC(F)(F)C(c1cnc(N2CCNCC2)s1)C(F)(F)F
InChIInChI=1S/C10H11F6N3S/c11-9(12,13)7(10(14,15)16)6-5-18-8(20-6)19-3-1-17-2-4-19/h5,7,17H,1-4H2
InChIKeyPQEGRXGOFBTFNZ-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.76
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole (PubChem CID 123748006) has the molecular formula C10H11F6N3S and a molecular weight of 319.27 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole
PubChem CID123748006
Molecular FormulaC10H11F6N3S
Molecular Weight319.27 g/mol
Exact Mass319.06
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole
SMILESFC(F)(F)C(c1cnc(N2CCNCC2)s1)C(F)(F)F
InChIInChI=1S/C10H11F6N3S/c11-9(12,13)7(10(14,15)16)6-5-18-8(20-6)19-3-1-17-2-4-19/h5,7,17H,1-4H2
InChIKeyPQEGRXGOFBTFNZ-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
CID 44593264
N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
CID 44593283
1-(5-Ethyl-1,3-thiazol-2-yl)piperazine
CID 54595657
5-Methyl-2-(piperazin-1-yl)thiazole
CID 21100190
1-[5-(2,2,2-Trifluoro-ethyl)-thiazol-2-yl]-piperazine hydrochloride
CID 21100179
2-Piperazin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 21100180
1-(5-Trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100200
2-(Piperazin-1-yl)-5-(trifluoromethyl)thiazole
CID 21100201
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 123214110
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-1,3-thiazol-2-amine
CID 144216022
2-(2-Iodopiperazin-1-yl)-5-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 169729361
2-(4,4-Difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole
CID 176759546

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole (CID 123748006) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole is FC(F)(F)C(c1cnc(N2CCNCC2)s1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is PQEGRXGOFBTFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3S/c11-9(12,13)7(10(14,15)16)6-5-18-8(20-6)19-3-1-17-2-4-19/h5,7,17H,1-4H2.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 319.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 123748006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).