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

C9H13N3OS — CID 65273405

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde
SMILESCc1nsc(N2CCC(C=O)CC2)n1
InChIInChI=1S/C9H13N3OS/c1-7-10-9(14-11-7)12-4-2-8(6-13)3-5-12/h6,8H,2-5H2,1H3
InChIKeyQFQAJFXPSYTYEE-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.26
Rot. Bonds2

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde (PubChem CID 65273405) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde
PubChem CID65273405
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde
SMILESCc1nsc(N2CCC(C=O)CC2)n1
InChIInChI=1S/C9H13N3OS/c1-7-10-9(14-11-7)12-4-2-8(6-13)3-5-12/h6,8H,2-5H2,1H3
InChIKeyQFQAJFXPSYTYEE-UHFFFAOYSA-N
XLogP1.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.26
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
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65268293
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-4-yl]ethanone
CID 65272277
1-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65272278
1-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65272334
1-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65272336
1-[1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65272337

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde (CID 65273405) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde is Cc1nsc(N2CCC(C=O)CC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde?
The InChIKey is QFQAJFXPSYTYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-10-9(14-11-7)12-4-2-8(6-13)3-5-12/h6,8H,2-5H2,1H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde?
1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde has a molecular weight of 211.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 65273405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).