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

C9H12F3N3OS — CID 107305663

IUPAC[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-13-8(17-14-7)15-4-2-1-3-6(15)5-16/h6,16H,1-5H2
InChIKeyGXEQJWKBOCOIRZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.91
Rot. Bonds2

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

[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol (PubChem CID 107305663) 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-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol
PubChem CID107305663
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-13-8(17-14-7)15-4-2-1-3-6(15)5-16/h6,16H,1-5H2
InChIKeyGXEQJWKBOCOIRZ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
CID 126835894
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305656
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305657
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanol
CID 107305665
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol
CID 107305669
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 107305678
2-[Pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305683
2-[Cyclohexyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305685
2-[Cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305687
3-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol
CID 107305695
[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanol
CID 107305737
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-ol
CID 107305750

Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol (CID 107305663) is [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol is OCC1CCCCN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol?
The InChIKey is GXEQJWKBOCOIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)7-13-8(17-14-7)15-4-2-1-3-6(15)5-16/h6,16H,1-5H2.
What are the key properties of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol?
[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol has a molecular weight of 267.28 g/mol, XLogP of 1.91, 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-2-yl]methanol is sourced from PubChem (CID 107305663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).