3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine

C13H24N4OS — CID 79737224

IUPAC3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine
SMILESCC(C)c1nsc(N2CCC(OCCCN)CC2)n1
InChIInChI=1S/C13H24N4OS/c1-10(2)12-15-13(19-16-12)17-7-4-11(5-8-17)18-9-3-6-14/h10-11H,3-9,14H2,1-2H3
InChIKeyUFGQTARUYJTXNY-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.00
Rot. Bonds6

About 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine

3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79737224) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79737224
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine
SMILESCC(C)c1nsc(N2CCC(OCCCN)CC2)n1
InChIInChI=1S/C13H24N4OS/c1-10(2)12-15-13(19-16-12)17-7-4-11(5-8-17)18-9-3-6-14/h10-11H,3-9,14H2,1-2H3
InChIKeyUFGQTARUYJTXNY-UHFFFAOYSA-N
XLogP2.00
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.00
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 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine (CID 79737224) is 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine is CC(C)c1nsc(N2CCC(OCCCN)CC2)n1.
What is the InChIKey of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is UFGQTARUYJTXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-10(2)12-15-13(19-16-12)17-7-4-11(5-8-17)18-9-3-6-14/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 284.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79737224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).