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

C10H15N3OS — CID 65280040

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde
SMILESCCc1nsc(N2CCC(C=O)CC2)n1
InChIInChI=1S/C10H15N3OS/c1-2-9-11-10(15-12-9)13-5-3-8(7-14)4-6-13/h7-8H,2-6H2,1H3
InChIKeyMFAHKQOMOCPJQC-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.52
Rot. Bonds3

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

1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde (PubChem CID 65280040) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde
PubChem CID65280040
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde
SMILESCCc1nsc(N2CCC(C=O)CC2)n1
InChIInChI=1S/C10H15N3OS/c1-2-9-11-10(15-12-9)13-5-3-8(7-14)4-6-13/h7-8H,2-6H2,1H3
InChIKeyMFAHKQOMOCPJQC-UHFFFAOYSA-N
XLogP1.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carbaldehyde
CID 107305985
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carbaldehyde
CID 107305986
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanone
CID 113943896
4-(Fluoromethyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 166603165
Ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65275310
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65268308
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65268309
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272111
1-[1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272167
1-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272219
1-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272221

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde (CID 65280040) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde is CCc1nsc(N2CCC(C=O)CC2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde?
The InChIKey is MFAHKQOMOCPJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-9-11-10(15-12-9)13-5-3-8(7-14)4-6-13/h7-8H,2-6H2,1H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde has a molecular weight of 225.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 65280040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).