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

C9H12N2OS — CID 77231522

IUPAC2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(C2CCNCC2)n1
InChIInChI=1S/C9H12N2OS/c12-5-8-6-13-9(11-8)7-1-3-10-4-2-7/h5-7,10H,1-4H2
InChIKeyBCIGIGNMEKYFGR-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.42
Rot. Bonds2

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

2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde (PubChem CID 77231522) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde
PubChem CID77231522
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(C2CCNCC2)n1
InChIInChI=1S/C9H12N2OS/c12-5-8-6-13-9(11-8)7-1-3-10-4-2-7/h5-7,10H,1-4H2
InChIKeyBCIGIGNMEKYFGR-UHFFFAOYSA-N
XLogP1.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.42
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?
The IUPAC name of 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde (CID 77231522) is 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde is O=Cc1csc(C2CCNCC2)n1.
What is the InChIKey of 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde?
The InChIKey is BCIGIGNMEKYFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-5-8-6-13-9(11-8)7-1-3-10-4-2-7/h5-7,10H,1-4H2.
What are the key properties of 2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde?
2-piperidin-4-yl-1,3-thiazole-4-carbaldehyde has a molecular weight of 196.27 g/mol, XLogP of 1.42, 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 is sourced from PubChem (CID 77231522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).