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

C10H14F3N3OS — CID 107305695

IUPAC3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-14-9(18-15-8)16-5-1-3-7(16)4-2-6-17/h7,17H,1-6H2
InChIKeyHJRWGOYURQZULL-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.30
Rot. Bonds4

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

3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 107305695) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID107305695
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-14-9(18-15-8)16-5-1-3-7(16)4-2-6-17/h7,17H,1-6H2
InChIKeyHJRWGOYURQZULL-UHFFFAOYSA-N
XLogP2.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanol
CID 107305663
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 107305678
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanol
CID 107305692
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]ethanol
CID 107305744
2-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]ethanol
CID 113944083
8-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 113944087
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azepan-2-yl]methanol
CID 113944090
3-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65273453
3-[1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65275001
3-[1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65275002
3-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65275057
3-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65275058

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol (CID 107305695) is 3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is HJRWGOYURQZULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)8-14-9(18-15-8)16-5-1-3-7(16)4-2-6-17/h7,17H,1-6H2.
What are the key properties of 3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 281.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 107305695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).