(1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol

C15H17F3N4OS — CID 124590700

IUPAC(1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
SMILESO[C@H](CN1CCN(c2nnc(C(F)(F)F)s2)CC1)c1ccccc1
InChIInChI=1S/C15H17F3N4OS/c16-15(17,18)13-19-20-14(24-13)22-8-6-21(7-9-22)10-12(23)11-4-2-1-3-5-11/h1-5,12,23H,6-10H2/t12-/m1/s1
InChIKeyPETJZCGUDGHCIV-GFCCVEGCSA-N
MW358.39 g/mol
LogP2.41
Rot. Bonds4

About (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol

(1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol (PubChem CID 124590700) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
PubChem CID124590700
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name(1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
SMILESO[C@H](CN1CCN(c2nnc(C(F)(F)F)s2)CC1)c1ccccc1
InChIInChI=1S/C15H17F3N4OS/c16-15(17,18)13-19-20-14(24-13)22-8-6-21(7-9-22)10-12(23)11-4-2-1-3-5-11/h1-5,12,23H,6-10H2/t12-/m1/s1
InChIKeyPETJZCGUDGHCIV-GFCCVEGCSA-N
XLogP2.41
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-Dimethylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 46968086
(5-Piperidin-1-yl-1,3,4-thiadiazol-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 132456210
1-(2,4-Dimethylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 46968085
(1R)-1-(2,5-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 51584907
(1S)-1-(2,5-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 51584908
(1R)-1-(2,4-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 51584973
(1S)-1-(2,4-dimethylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 51584974
1-(4-Methylphenyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 86799524
4-[hydroxy(phenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 86987782
1-Phenyl-2-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-YL]piperazin-1-YL}ethanol
CID 91841713
(1S)-1-(4-methylphenyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 99698089
(1R)-1-(4-methylphenyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 99698090

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol (CID 124590700) is (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol is O[C@H](CN1CCN(c2nnc(C(F)(F)F)s2)CC1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol?
The InChIKey is PETJZCGUDGHCIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c16-15(17,18)13-19-20-14(24-13)22-8-6-21(7-9-22)10-12(23)11-4-2-1-3-5-11/h1-5,12,23H,6-10H2/t12-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol?
(1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol has a molecular weight of 358.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 124590700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).