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

C11H19N3OS — CID 65275058

IUPAC3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCc1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C11H19N3OS/c1-2-10-12-11(16-13-10)14-7-3-5-9(14)6-4-8-15/h9,15H,2-8H2,1H3
InChIKeyLYWQCTARRLRROY-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.84
Rot. Bonds5

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

3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 65275058) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID65275058
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCc1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C11H19N3OS/c1-2-10-12-11(16-13-10)14-7-3-5-9(14)6-4-8-15/h9,15H,2-8H2,1H3
InChIKeyLYWQCTARRLRROY-UHFFFAOYSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-Dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 84595118
2-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 126814625
(2R)-2-(3-hydroxypropyl)-N-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 164639752
3-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]propan-1-ol
CID 107305695
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanol
CID 65273153
2-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65273211
[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
CID 65273272
3-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 65273453
8-(3-Methyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65273518
2-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274600
2-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274601
2-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]ethanol
CID 65274602

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (CID 65275058) is 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is CCc1nsc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is LYWQCTARRLRROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-10-12-11(16-13-10)14-7-3-5-9(14)6-4-8-15/h9,15H,2-8H2,1H3.
What are the key properties of 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 65275058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).