4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde

C9H11BrN2OS — CID 146036098

IUPAC4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCCCC2)nc1Br
InChIInChI=1S/C9H11BrN2OS/c10-8-7(6-13)14-9(11-8)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyHXRRBWVQWULIKG-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.71
Rot. Bonds2

About 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde

4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 146036098) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
PubChem CID146036098
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC Name4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCCCC2)nc1Br
InChIInChI=1S/C9H11BrN2OS/c10-8-7(6-13)14-9(11-8)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyHXRRBWVQWULIKG-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde (CID 146036098) is 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde is O=Cc1sc(N2CCCCC2)nc1Br.
What is the InChIKey of 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is HXRRBWVQWULIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c10-8-7(6-13)14-9(11-8)12-4-2-1-3-5-12/h6H,1-5H2.
What are the key properties of 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde?
4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 275.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-piperidin-1-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 146036098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).