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

C12H22N4OS — CID 65272735

IUPAC2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C12H22N4OS/c1-10-14-12(18-15-10)16-6-3-11(4-7-16)9-13-5-8-17-2/h11,13H,3-9H2,1-2H3
InChIKeyZVIMNKNRPKGDMD-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.30
Rot. Bonds6

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

2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 65272735) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID65272735
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C12H22N4OS/c1-10-14-12(18-15-10)16-6-3-11(4-7-16)9-13-5-8-17-2/h11,13H,3-9H2,1-2H3
InChIKeyZVIMNKNRPKGDMD-UHFFFAOYSA-N
XLogP1.30
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.30
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)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine (CID 65272735) is 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine is COCCNCC1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is ZVIMNKNRPKGDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-10-14-12(18-15-10)16-6-3-11(4-7-16)9-13-5-8-17-2/h11,13H,3-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 270.40 g/mol, XLogP of 1.30, 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)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 65272735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).