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

C9H12F3N3OS — CID 107305704

IUPAC3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
SMILESCC(C)C1(O)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H12F3N3OS/c1-5(2)8(16)3-15(4-8)7-13-6(14-17-7)9(10,11)12/h5,16H,3-4H2,1-2H3
InChIKeyVQJRXPXUXKWVML-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.76
Rot. Bonds2

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

3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol (PubChem CID 107305704) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
PubChem CID107305704
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
SMILESCC(C)C1(O)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H12F3N3OS/c1-5(2)8(16)3-15(4-8)7-13-6(14-17-7)9(10,11)12/h5,16H,3-4H2,1-2H3
InChIKeyVQJRXPXUXKWVML-UHFFFAOYSA-N
XLogP1.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.76
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
2-Methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 107305003
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
CID 107305701
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-Cyclopropyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol
CID 107305706
2-Methyl-1-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305716
1-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropan-2-ol
CID 107305718
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305755
1-(3-Propyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737702
3-Ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65927947
3-Ethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65928361

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The IUPAC name of 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol (CID 107305704) is 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol.
What is the SMILES notation for 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The canonical SMILES for 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol is CC(C)C1(O)CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
The InChIKey is VQJRXPXUXKWVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-5(2)8(16)3-15(4-8)7-13-6(14-17-7)9(10,11)12/h5,16H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol?
3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol has a molecular weight of 267.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-ol is sourced from PubChem (CID 107305704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).