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

C9H10F3N3OS — CID 107305706

IUPAC3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
SMILESOC1(C2CC2)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)6-13-7(17-14-6)15-3-8(16,4-15)5-1-2-5/h5,16H,1-4H2
InChIKeyXGGIAERXFDRCRM-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.52
Rot. Bonds2

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

3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol (PubChem CID 107305706) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
PubChem CID107305706
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
SMILESOC1(C2CC2)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)6-13-7(17-14-6)15-3-8(16,4-15)5-1-2-5/h5,16H,1-4H2
InChIKeyXGGIAERXFDRCRM-UHFFFAOYSA-N
XLogP1.52
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
CID 107305702
3-Propyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
CID 107305703
3-Propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
CID 107305704
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-ol
CID 107305736
1-[[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
CID 107305746
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-ethylazetidin-3-ol
CID 65929817
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-propan-2-ylazetidin-3-ol
CID 65935559
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-3-propan-2-ylazetidin-3-ol
CID 65935980
3-Cyclopropyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65936384
3-Cyclopropyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65936385
3-Cyclopropyl-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65936569
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-3-cyclopropylazetidin-3-ol
CID 65938604

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol (CID 107305706) is 3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol is OC1(C2CC2)CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The InChIKey is XGGIAERXFDRCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)6-13-7(17-14-6)15-3-8(16,4-15)5-1-2-5/h5,16H,1-4H2.
What are the key properties of 3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol has a molecular weight of 265.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol is sourced from PubChem (CID 107305706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).