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

C6H6F3N3OS — CID 107305697

IUPAC1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
SMILESOC1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C6H6F3N3OS/c7-6(8,9)4-10-5(14-11-4)12-1-3(13)2-12/h3,13H,1-2H2
InChIKeyKXPOSRZZDFSNBO-UHFFFAOYSA-N
MW225.19 g/mol
LogP0.74
Rot. Bonds1

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

1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol (PubChem CID 107305697) has the molecular formula C6H6F3N3OS and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
PubChem CID107305697
Molecular FormulaC6H6F3N3OS
Molecular Weight225.19 g/mol
Exact Mass225.02
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
SMILESOC1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C6H6F3N3OS/c7-6(8,9)4-10-5(14-11-4)12-1-3(13)2-12/h3,13H,1-2H2
InChIKeyKXPOSRZZDFSNBO-UHFFFAOYSA-N
XLogP0.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 50.74
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-ol?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol (CID 107305697) is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol is OC1CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The InChIKey is KXPOSRZZDFSNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3OS/c7-6(8,9)4-10-5(14-11-4)12-1-3(13)2-12/h3,13H,1-2H2.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol has a molecular weight of 225.19 g/mol, XLogP of 0.74, 1 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-ol is sourced from PubChem (CID 107305697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).