1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol

C9H12F3N3OS — CID 107305727

IUPAC1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H12F3N3OS/c1-5(16)6-2-3-15(4-6)8-13-7(14-17-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyHGUXRXONKAVGGR-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.76
Rot. Bonds2

About 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol

1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol (PubChem CID 107305727) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol
PubChem CID107305727
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H12F3N3OS/c1-5(16)6-2-3-15(4-6)8-13-7(14-17-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyHGUXRXONKAVGGR-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-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305657
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanol
CID 107305669
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanol
CID 107305692
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305696
3-[[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclobutan-1-ol
CID 107305708
5-[(Dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305711
4-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 107305734
(3R)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305738
(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305739
3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305740
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol
CID 107305744
[3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 107305752

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol (CID 107305727) is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is HGUXRXONKAVGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-5(16)6-2-3-15(4-6)8-13-7(14-17-8)9(10,11)12/h5-6,16H,2-4H2,1H3.
What are the key properties of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol?
1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol 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 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 107305727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).