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

C7H8F3N3OS — CID 107305701

IUPAC3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
SMILESCC1(O)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H8F3N3OS/c1-6(14)2-13(3-6)5-11-4(12-15-5)7(8,9)10/h14H,2-3H2,1H3
InChIKeyNMSMLMVGPKVIAP-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.13
Rot. Bonds1

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

3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol (PubChem CID 107305701) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
PubChem CID107305701
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
SMILESCC1(O)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H8F3N3OS/c1-6(14)2-13(3-6)5-11-4(12-15-5)7(8,9)10/h14H,2-3H2,1H3
InChIKeyNMSMLMVGPKVIAP-UHFFFAOYSA-N
XLogP1.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-3-ethylazetidin-3-ol
CID 65930249
1-(Dimethylamino)-2-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 106145449
2-Methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305002
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305667
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
1-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305690
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
CID 107305697
2-Methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol
CID 107305699
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
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanol
CID 107305710

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The IUPAC name of 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol (CID 107305701) is 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol is CC1(O)CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The InChIKey is NMSMLMVGPKVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c1-6(14)2-13(3-6)5-11-4(12-15-5)7(8,9)10/h14H,2-3H2,1H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol has a molecular weight of 239.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol is sourced from PubChem (CID 107305701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).