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

C8H10F3N3O2S — CID 114448701

IUPAC[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2nnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)6-12-13-7(17-6)14-1-2-16-5(3-14)4-15/h5,15H,1-4H2
InChIKeyUBYDESUBVGCWAT-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.75
Rot. Bonds2

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

[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol (PubChem CID 114448701) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
PubChem CID114448701
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2nnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)6-12-13-7(17-6)14-1-2-16-5(3-14)4-15/h5,15H,1-4H2
InChIKeyUBYDESUBVGCWAT-UHFFFAOYSA-N
XLogP0.75
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol (CID 114448701) is [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol is OCC1CN(c2nnc(C(F)(F)F)s2)CCO1.
What is the InChIKey of [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol?
The InChIKey is UBYDESUBVGCWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c9-8(10,11)6-12-13-7(17-6)14-1-2-16-5(3-14)4-15/h5,15H,1-4H2.
What are the key properties of [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol?
[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol has a molecular weight of 269.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 114448701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).