5-(piperidin-4-ylidenemethyl)-1,3-thiazole

C9H12N2S — CID 112645499

IUPAC5-(piperidin-4-ylidenemethyl)-1,3-thiazole
SMILESC(=C1CCNCC1)c1cncs1
InChIInChI=1S/C9H12N2S/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h5-7,10H,1-4H2
InChIKeyJRLNKKZKPLJZBG-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.91
Rot. Bonds1

About 5-(piperidin-4-ylidenemethyl)-1,3-thiazole

5-(piperidin-4-ylidenemethyl)-1,3-thiazole (PubChem CID 112645499) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-(piperidin-4-ylidenemethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(piperidin-4-ylidenemethyl)-1,3-thiazole
PubChem CID112645499
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-(piperidin-4-ylidenemethyl)-1,3-thiazole
SMILESC(=C1CCNCC1)c1cncs1
InChIInChI=1S/C9H12N2S/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h5-7,10H,1-4H2
InChIKeyJRLNKKZKPLJZBG-UHFFFAOYSA-N
XLogP1.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylidenemethyl)-1,3-thiazole?
The IUPAC name of 5-(piperidin-4-ylidenemethyl)-1,3-thiazole (CID 112645499) is 5-(piperidin-4-ylidenemethyl)-1,3-thiazole.
What is the SMILES notation for 5-(piperidin-4-ylidenemethyl)-1,3-thiazole?
The canonical SMILES for 5-(piperidin-4-ylidenemethyl)-1,3-thiazole is C(=C1CCNCC1)c1cncs1.
What is the InChIKey of 5-(piperidin-4-ylidenemethyl)-1,3-thiazole?
The InChIKey is JRLNKKZKPLJZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h5-7,10H,1-4H2.
What are the key properties of 5-(piperidin-4-ylidenemethyl)-1,3-thiazole?
5-(piperidin-4-ylidenemethyl)-1,3-thiazole has a molecular weight of 180.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylidenemethyl)-1,3-thiazole is sourced from PubChem (CID 112645499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).