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

C7H8F3N3OS — CID 107305710

IUPAC[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol
SMILESOCC1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-11-6(15-12-5)13-1-4(2-13)3-14/h4,14H,1-3H2
InChIKeyMGPULWIQWDAEMK-UHFFFAOYSA-N
MW239.22 g/mol
LogP0.99
Rot. Bonds2

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

[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol (PubChem CID 107305710) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol
PubChem CID107305710
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol
SMILESOCC1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)5-11-6(15-12-5)13-1-4(2-13)3-14/h4,14H,1-3H2
InChIKeyMGPULWIQWDAEMK-UHFFFAOYSA-N
XLogP0.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 50.99
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]azetidin-3-yl]methanol?
The IUPAC name of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol (CID 107305710) is [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol?
The canonical SMILES for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol is OCC1CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol?
The InChIKey is MGPULWIQWDAEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)5-11-6(15-12-5)13-1-4(2-13)3-14/h4,14H,1-3H2.
What are the key properties of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol?
[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol has a molecular weight of 239.22 g/mol, XLogP of 0.99, 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]azetidin-3-yl]methanol is sourced from PubChem (CID 107305710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).