2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine

C11H20N4OS — CID 65272920

IUPAC2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN1c1nc(C)ns1
InChIInChI=1S/C11H20N4OS/c1-9-13-11(17-14-9)15-6-3-4-10(15)8-12-5-7-16-2/h10,12H,3-8H2,1-2H3
InChIKeyMVBYMOIQUTVWMV-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.05
Rot. Bonds6

About 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 65272920) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID65272920
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN1c1nc(C)ns1
InChIInChI=1S/C11H20N4OS/c1-9-13-11(17-14-9)15-6-3-4-10(15)8-12-5-7-16-2/h10,12H,3-8H2,1-2H3
InChIKeyMVBYMOIQUTVWMV-UHFFFAOYSA-N
XLogP1.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine (CID 65272920) is 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine is COCCNCC1CCCN1c1nc(C)ns1.
What is the InChIKey of 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is MVBYMOIQUTVWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-9-13-11(17-14-9)15-6-3-4-10(15)8-12-5-7-16-2/h10,12H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 256.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 65272920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).