5-piperidin-4-yl-1,2-thiazole

C8H12N2S — CID 70115707

IUPAC5-piperidin-4-yl-1,2-thiazole
SMILESc1cc(C2CCNCC2)sn1
InChIInChI=1S/C8H12N2S/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2
InChIKeyBXYVHEYFUXHYPZ-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.61
Rot. Bonds1

About 5-piperidin-4-yl-1,2-thiazole

5-piperidin-4-yl-1,2-thiazole (PubChem CID 70115707) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-piperidin-4-yl-1,2-thiazole.

Molecular Properties

Compound Name5-piperidin-4-yl-1,2-thiazole
PubChem CID70115707
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-piperidin-4-yl-1,2-thiazole
SMILESc1cc(C2CCNCC2)sn1
InChIInChI=1S/C8H12N2S/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2
InChIKeyBXYVHEYFUXHYPZ-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 5-piperidin-4-yl-1,2-thiazole?
The IUPAC name of 5-piperidin-4-yl-1,2-thiazole (CID 70115707) is 5-piperidin-4-yl-1,2-thiazole.
What is the SMILES notation for 5-piperidin-4-yl-1,2-thiazole?
The canonical SMILES for 5-piperidin-4-yl-1,2-thiazole is c1cc(C2CCNCC2)sn1.
What is the InChIKey of 5-piperidin-4-yl-1,2-thiazole?
The InChIKey is BXYVHEYFUXHYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2.
What are the key properties of 5-piperidin-4-yl-1,2-thiazole?
5-piperidin-4-yl-1,2-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 5-piperidin-4-yl-1,2-thiazole is sourced from PubChem (CID 70115707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).