2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride

C9H13ClN2OS — CID 86631242

IUPAC2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride
SMILESCl.O=Cc1csc(C2CCNCC2)n1
InChIInChI=1S/C9H12N2OS.ClH/c12-5-8-6-13-9(11-8)7-1-3-10-4-2-7;/h5-7,10H,1-4H2;1H
InChIKeyZRVHTPVFXZQBIY-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.84
Rot. Bonds2

About 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride

2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride (PubChem CID 86631242) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride
PubChem CID86631242
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride
SMILESCl.O=Cc1csc(C2CCNCC2)n1
InChIInChI=1S/C9H12N2OS.ClH/c12-5-8-6-13-9(11-8)7-1-3-10-4-2-7;/h5-7,10H,1-4H2;1H
InChIKeyZRVHTPVFXZQBIY-UHFFFAOYSA-N
XLogP1.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.84
H-Bond Donors ≤ 51
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-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride?
The IUPAC name of 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride (CID 86631242) is 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride?
The canonical SMILES for 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride is Cl.O=Cc1csc(C2CCNCC2)n1.
What is the InChIKey of 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride?
The InChIKey is ZRVHTPVFXZQBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS.ClH/c12-5-8-6-13-9(11-8)7-1-3-10-4-2-7;/h5-7,10H,1-4H2;1H.
What are the key properties of 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride?
2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride has a molecular weight of 232.74 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde;hydrochloride is sourced from PubChem (CID 86631242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).