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

C10H14F3N3O2S — CID 114448792

IUPAC2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)8-14-15-9(19-8)16-3-1-7(2-4-16)18-6-5-17/h7,17H,1-6H2
InChIKeyPZTYSKWIYHVCAR-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.53
Rot. Bonds4

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

2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol (PubChem CID 114448792) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol
PubChem CID114448792
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)8-14-15-9(19-8)16-3-1-7(2-4-16)18-6-5-17/h7,17H,1-6H2
InChIKeyPZTYSKWIYHVCAR-UHFFFAOYSA-N
XLogP1.53
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol (CID 114448792) is 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol is OCCOC1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol?
The InChIKey is PZTYSKWIYHVCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c11-10(12,13)8-14-15-9(19-8)16-3-1-7(2-4-16)18-6-5-17/h7,17H,1-6H2.
What are the key properties of 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol?
2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol has a molecular weight of 297.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 114448792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).