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

C14H24N4OS — CID 65280574

IUPACN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C14H24N4OS/c1-19-9-6-15-10-11-4-7-18(8-5-11)14-16-13(17-20-14)12-2-3-12/h11-12,15H,2-10H2,1H3
InChIKeyCCCOOVYPESZBCV-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.87
Rot. Bonds7

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

N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 65280574) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID65280574
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C14H24N4OS/c1-19-9-6-15-10-11-4-7-18(8-5-11)14-16-13(17-20-14)12-2-3-12/h11-12,15H,2-10H2,1H3
InChIKeyCCCOOVYPESZBCV-UHFFFAOYSA-N
XLogP1.87
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.87
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 N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine (CID 65280574) is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine is COCCNCC1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is CCCOOVYPESZBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-19-9-6-15-10-11-4-7-18(8-5-11)14-16-13(17-20-14)12-2-3-12/h11-12,15H,2-10H2,1H3.
What are the key properties of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 296.44 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65280574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).