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

C13H24N4OS — CID 65280822

IUPACN-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1nsc(N2CCCCC2CNCCOC)n1
InChIInChI=1S/C13H24N4OS/c1-3-12-15-13(19-16-12)17-8-5-4-6-11(17)10-14-7-9-18-2/h11,14H,3-10H2,1-2H3
InChIKeyYIMGCRYKABNWHZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.70
Rot. Bonds7

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

N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 65280822) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
PubChem CID65280822
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC NameN-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCCc1nsc(N2CCCCC2CNCCOC)n1
InChIInChI=1S/C13H24N4OS/c1-3-12-15-13(19-16-12)17-8-5-4-6-11(17)10-14-7-9-18-2/h11,14H,3-10H2,1-2H3
InChIKeyYIMGCRYKABNWHZ-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.70
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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Related Compounds

N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 65279971
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62961753
3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
CID 62587593
N-[[1-(1,3-benzoxazol-2-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62585619
3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
CID 65277768
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65280581
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 154736702
2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol
CID 126814537
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine
CID 65280336

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine (CID 65280822) is N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine is CCc1nsc(N2CCCCC2CNCCOC)n1.
What is the InChIKey of N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is YIMGCRYKABNWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-3-12-15-13(19-16-12)17-8-5-4-6-11(17)10-14-7-9-18-2/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 284.43 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65280822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).