2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde

C15H24N2OS — CID 55158334

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCC(C)(CC)CC2)sc1C=O
InChIInChI=1S/C15H24N2OS/c1-4-6-12-13(11-18)19-14(16-12)17-9-7-15(3,5-2)8-10-17/h11H,4-10H2,1-3H3
InChIKeyMZOTZYZUWNUGTA-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.92
Rot. Bonds5

About 2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde

2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 55158334) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID55158334
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCC(C)(CC)CC2)sc1C=O
InChIInChI=1S/C15H24N2OS/c1-4-6-12-13(11-18)19-14(16-12)17-9-7-15(3,5-2)8-10-17/h11H,4-10H2,1-3H3
InChIKeyMZOTZYZUWNUGTA-UHFFFAOYSA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.92
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-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde (CID 55158334) is 2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N2CCC(C)(CC)CC2)sc1C=O.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is MZOTZYZUWNUGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-6-12-13(11-18)19-14(16-12)17-9-7-15(3,5-2)8-10-17/h11H,4-10H2,1-3H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 280.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 55158334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).