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

C14H26N4OS — CID 65280695

IUPAC2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(c2nc(C(C)C)ns2)CC1
InChIInChI=1S/C14H26N4OS/c1-11(2)13-16-14(20-17-13)18-7-4-12(5-8-18)10-15-6-9-19-3/h11-12,15H,4-10H2,1-3H3
InChIKeyZGPOISSCEKWQLC-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.11
Rot. Bonds7

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

2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 65280695) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID65280695
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
SMILESCOCCNCC1CCN(c2nc(C(C)C)ns2)CC1
InChIInChI=1S/C14H26N4OS/c1-11(2)13-16-14(20-17-13)18-7-4-12(5-8-18)10-15-6-9-19-3/h11-12,15H,4-10H2,1-3H3
InChIKeyZGPOISSCEKWQLC-UHFFFAOYSA-N
XLogP2.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.11
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-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine (CID 65280695) is 2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine is COCCNCC1CCN(c2nc(C(C)C)ns2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is ZGPOISSCEKWQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-11(2)13-16-14(20-17-13)18-7-4-12(5-8-18)10-15-6-9-19-3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 298.46 g/mol, XLogP of 2.11, 7 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-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 65280695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).