1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol

C17H14F9N3OS — CID 52941425

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol
SMILESOC(c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H14F9N3OS/c18-15(19,20)10-2-1-3-11(8-10)28-4-6-29(7-5-28)13-27-9-12(31-13)14(30,16(21,22)23)17(24,25)26/h1-3,8-9,30H,4-7H2
InChIKeyCOHFQPMMBCEUFR-UHFFFAOYSA-N
MW479.37 g/mol
LogP4.80
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 52941425) has the molecular formula C17H14F9N3OS and a molecular weight of 479.37 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID52941425
Molecular FormulaC17H14F9N3OS
Molecular Weight479.37 g/mol
Exact Mass479.07
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol
SMILESOC(c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H14F9N3OS/c18-15(19,20)10-2-1-3-11(8-10)28-4-6-29(7-5-28)13-27-9-12(31-13)14(30,16(21,22)23)17(24,25)26/h1-3,8-9,30H,4-7H2
InChIKeyCOHFQPMMBCEUFR-UHFFFAOYSA-N
XLogP4.80
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-methylbenzamide
CID 46208235
1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol
CID 52944118
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
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1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-benzothiazole
CID 121083588
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90609854
[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3240265

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol (CID 52941425) is 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol is OC(c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is COHFQPMMBCEUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F9N3OS/c18-15(19,20)10-2-1-3-11(8-10)28-4-6-29(7-5-28)13-27-9-12(31-13)14(30,16(21,22)23)17(24,25)26/h1-3,8-9,30H,4-7H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 479.37 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 52941425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).