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

C11H19N3OS — CID 65274810

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3OS/c1-8(2)12-6-3-7-15-11-13-10(14-16-11)9-4-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyBWJGLRLYIFCDSI-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.18
Rot. Bonds7

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine (PubChem CID 65274810) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine
PubChem CID65274810
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3OS/c1-8(2)12-6-3-7-15-11-13-10(14-16-11)9-4-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyBWJGLRLYIFCDSI-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.18
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-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine (CID 65274810) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine is CC(C)NCCCOc1nc(C2CC2)ns1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is BWJGLRLYIFCDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)12-6-3-7-15-11-13-10(14-16-11)9-4-5-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65274810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).