1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde

C9H12N2OS — CID 62663441

IUPAC1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2nccs2)CC1
InChIInChI=1S/C9H12N2OS/c12-7-8-1-4-11(5-2-8)9-10-3-6-13-9/h3,6-8H,1-2,4-5H2
InChIKeyXOQRICICDNTYDO-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.56
Rot. Bonds2

About 1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde

1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde (PubChem CID 62663441) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde
PubChem CID62663441
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2nccs2)CC1
InChIInChI=1S/C9H12N2OS/c12-7-8-1-4-11(5-2-8)9-10-3-6-13-9/h3,6-8H,1-2,4-5H2
InChIKeyXOQRICICDNTYDO-UHFFFAOYSA-N
XLogP1.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde (CID 62663441) is 1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde is O=CC1CCN(c2nccs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde?
The InChIKey is XOQRICICDNTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-7-8-1-4-11(5-2-8)9-10-3-6-13-9/h3,6-8H,1-2,4-5H2.
What are the key properties of 1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde?
1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde has a molecular weight of 196.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62663441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).