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

C8H12N2S — CID 39236249

IUPAC4-piperidin-4-yl-1,3-thiazole
SMILESc1nc(C2CCNCC2)cs1
InChIInChI=1S/C8H12N2S/c1-3-9-4-2-7(1)8-5-11-6-10-8/h5-7,9H,1-4H2
InChIKeyBUMORARINGMZLH-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.61
Rot. Bonds1

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

4-piperidin-4-yl-1,3-thiazole (PubChem CID 39236249) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-piperidin-4-yl-1,3-thiazole
PubChem CID39236249
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-piperidin-4-yl-1,3-thiazole
SMILESc1nc(C2CCNCC2)cs1
InChIInChI=1S/C8H12N2S/c1-3-9-4-2-7(1)8-5-11-6-10-8/h5-7,9H,1-4H2
InChIKeyBUMORARINGMZLH-UHFFFAOYSA-N
XLogP1.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-piperidin-4-yl-1,3-thiazole (CID 39236249) is 4-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-piperidin-4-yl-1,3-thiazole is c1nc(C2CCNCC2)cs1.
What is the InChIKey of 4-piperidin-4-yl-1,3-thiazole?
The InChIKey is BUMORARINGMZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-3-9-4-2-7(1)8-5-11-6-10-8/h5-7,9H,1-4H2.
What are the key properties of 4-piperidin-4-yl-1,3-thiazole?
4-piperidin-4-yl-1,3-thiazole has a molecular weight of 168.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 39236249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).