2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde

C11H16N2OS — CID 88825674

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde
SMILESCc1nc(C(C=O)N2CCCCC2)cs1
InChIInChI=1S/C11H16N2OS/c1-9-12-10(8-15-9)11(7-14)13-5-3-2-4-6-13/h7-8,11H,2-6H2,1H3
InChIKeyYBMACKOJKTWHMT-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.18
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde

2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde (PubChem CID 88825674) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde
PubChem CID88825674
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde
SMILESCc1nc(C(C=O)N2CCCCC2)cs1
InChIInChI=1S/C11H16N2OS/c1-9-12-10(8-15-9)11(7-14)13-5-3-2-4-6-13/h7-8,11H,2-6H2,1H3
InChIKeyYBMACKOJKTWHMT-UHFFFAOYSA-N
XLogP2.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.18
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 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde (CID 88825674) is 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde is Cc1nc(C(C=O)N2CCCCC2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde?
The InChIKey is YBMACKOJKTWHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-12-10(8-15-9)11(7-14)13-5-3-2-4-6-13/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde?
2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde has a molecular weight of 224.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-2-piperidin-1-ylacetaldehyde is sourced from PubChem (CID 88825674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).