1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde

C11H17N3OS — CID 65280099

IUPAC1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde
SMILESCC(C)c1nsc(N2CCCC(C=O)C2)n1
InChIInChI=1S/C11H17N3OS/c1-8(2)10-12-11(16-13-10)14-5-3-4-9(6-14)7-15/h7-9H,3-6H2,1-2H3
InChIKeyVWJODABFQDVJSO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.08
Rot. Bonds3

About 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde

1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde (PubChem CID 65280099) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde
PubChem CID65280099
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde
SMILESCC(C)c1nsc(N2CCCC(C=O)C2)n1
InChIInChI=1S/C11H17N3OS/c1-8(2)10-12-11(16-13-10)14-5-3-4-9(6-14)7-15/h7-9H,3-6H2,1-2H3
InChIKeyVWJODABFQDVJSO-UHFFFAOYSA-N
XLogP2.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde (CID 65280099) is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde is CC(C)c1nsc(N2CCCC(C=O)C2)n1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
The InChIKey is VWJODABFQDVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(2)10-12-11(16-13-10)14-5-3-4-9(6-14)7-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde has a molecular weight of 239.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde is sourced from PubChem (CID 65280099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).