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

C9H12F3N3OS — CID 107305669

IUPAC[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-13-8(17-14-7)15-3-1-6(5-16)2-4-15/h6,16H,1-5H2
InChIKeyJOBWRIHQKDRYFG-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.77
Rot. Bonds2

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

[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol (PubChem CID 107305669) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol
PubChem CID107305669
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-13-8(17-14-7)15-3-1-6(5-16)2-4-15/h6,16H,1-5H2
InChIKeyJOBWRIHQKDRYFG-UHFFFAOYSA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol (CID 107305669) is [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol is OCC1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol?
The InChIKey is JOBWRIHQKDRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)7-13-8(17-14-7)15-3-1-6(5-16)2-4-15/h6,16H,1-5H2.
What are the key properties of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol?
[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol has a molecular weight of 267.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 107305669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).