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

C15H17F3N4OS — CID 91841713

IUPAC1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
SMILESOC(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
InChIKeyPETJZCGUDGHCIV-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.41
Rot. Bonds4

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

1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol (PubChem CID 91841713) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
PubChem CID91841713
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
SMILESOC(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
InChIKeyPETJZCGUDGHCIV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol (CID 91841713) is 1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol is OC(CN1CCN(c2nnc(C(F)(F)F)s2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol?
The InChIKey is PETJZCGUDGHCIV-UHFFFAOYSA-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.
What are the key properties of 1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol?
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 1-phenyl-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 91841713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).