3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine

C8H15N3OS — CID 65274587

IUPAC3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
SMILESCCCc1nsc(OCCCN)n1
InChIInChI=1S/C8H15N3OS/c1-2-4-7-10-8(13-11-7)12-6-3-5-9/h2-6,9H2,1H3
InChIKeyFWEALVJBZRFFJW-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.22
Rot. Bonds6

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

3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine (PubChem CID 65274587) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
PubChem CID65274587
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
SMILESCCCc1nsc(OCCCN)n1
InChIInChI=1S/C8H15N3OS/c1-2-4-7-10-8(13-11-7)12-6-3-5-9/h2-6,9H2,1H3
InChIKeyFWEALVJBZRFFJW-UHFFFAOYSA-N
XLogP1.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
The IUPAC name of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine (CID 65274587) is 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine.
What is the SMILES notation for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
The canonical SMILES for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine is CCCc1nsc(OCCCN)n1.
What is the InChIKey of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
The InChIKey is FWEALVJBZRFFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-2-4-7-10-8(13-11-7)12-6-3-5-9/h2-6,9H2,1H3.
What are the key properties of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine?
3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine has a molecular weight of 201.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine is sourced from PubChem (CID 65274587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).