2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde

C10H14N2O2S — CID 89222120

IUPAC2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde
SMILESCOC1CCN(c2nc(C=O)cs2)CC1
InChIInChI=1S/C10H14N2O2S/c1-14-9-2-4-12(5-3-9)10-11-8(6-13)7-15-10/h6-7,9H,2-5H2,1H3
InChIKeyJXKCNSZKXDVKCS-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.57
Rot. Bonds3

About 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde

2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 89222120) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID89222120
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde
SMILESCOC1CCN(c2nc(C=O)cs2)CC1
InChIInChI=1S/C10H14N2O2S/c1-14-9-2-4-12(5-3-9)10-11-8(6-13)7-15-10/h6-7,9H,2-5H2,1H3
InChIKeyJXKCNSZKXDVKCS-UHFFFAOYSA-N
XLogP1.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.57
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 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde (CID 89222120) is 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde is COC1CCN(c2nc(C=O)cs2)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is JXKCNSZKXDVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-9-2-4-12(5-3-9)10-11-8(6-13)7-15-10/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde?
2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 226.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 89222120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).