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

C11H15N3OS — CID 65280100

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N3OS/c15-7-8-2-1-5-14(6-8)11-12-10(13-16-11)9-3-4-9/h7-9H,1-6H2
InChIKeyGAFSQZWCSCQJRG-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.83
Rot. Bonds3

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde (PubChem CID 65280100) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde
PubChem CID65280100
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N3OS/c15-7-8-2-1-5-14(6-8)11-12-10(13-16-11)9-3-4-9/h7-9H,1-6H2
InChIKeyGAFSQZWCSCQJRG-UHFFFAOYSA-N
XLogP1.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.83
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-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde (CID 65280100) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde is O=CC1CCCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
The InChIKey is GAFSQZWCSCQJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-7-8-2-1-5-14(6-8)11-12-10(13-16-11)9-3-4-9/h7-9H,1-6H2.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde has a molecular weight of 237.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde is sourced from PubChem (CID 65280100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).