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

C11H20N4S — CID 65277768

IUPAC3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCCc1nsc(N2CCCC2CCCN)n1
InChIInChI=1S/C11H20N4S/c1-2-10-13-11(16-14-10)15-8-4-6-9(15)5-3-7-12/h9H,2-8,12H2,1H3
InChIKeyMTAXAGIYZVBJGI-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.81
Rot. Bonds5

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

3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine (PubChem CID 65277768) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
PubChem CID65277768
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
SMILESCCc1nsc(N2CCCC2CCCN)n1
InChIInChI=1S/C11H20N4S/c1-2-10-13-11(16-14-10)15-8-4-6-9(15)5-3-7-12/h9H,2-8,12H2,1H3
InChIKeyMTAXAGIYZVBJGI-UHFFFAOYSA-N
XLogP1.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63760448
5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 131014603
N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 65279971
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83095298
ethyl 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 65274919
N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 65280822
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275986
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65280832
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63761067
3-(1-pyridin-4-ylpyrrolidin-2-yl)propan-1-amine
CID 63758931

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine (CID 65277768) is 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine is CCc1nsc(N2CCCC2CCCN)n1.
What is the InChIKey of 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine?
The InChIKey is MTAXAGIYZVBJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-10-13-11(16-14-10)15-8-4-6-9(15)5-3-7-12/h9H,2-8,12H2,1H3.
What are the key properties of 3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine?
3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine has a molecular weight of 240.38 g/mol, XLogP of 1.81, 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-amine is sourced from PubChem (CID 65277768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).