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

C10H14F3N3OS — CID 107305758

IUPAC1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H14F3N3OS/c1-6(17)7-2-4-16(5-3-7)9-14-8(15-18-9)10(11,12)13/h6-7,17H,2-5H2,1H3
InChIKeyPTXAQIUREWJFCQ-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.15
Rot. Bonds2

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

1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol (PubChem CID 107305758) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol
PubChem CID107305758
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H14F3N3OS/c1-6(17)7-2-4-16(5-3-7)9-14-8(15-18-9)10(11,12)13/h6-7,17H,2-5H2,1H3
InChIKeyPTXAQIUREWJFCQ-UHFFFAOYSA-N
XLogP2.15
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol (CID 107305758) is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol?
The InChIKey is PTXAQIUREWJFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-6(17)7-2-4-16(5-3-7)9-14-8(15-18-9)10(11,12)13/h6-7,17H,2-5H2,1H3.
What are the key properties of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol?
1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol has a molecular weight of 281.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 107305758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).