2-bromo-5-piperidin-1-yl-1,3-thiazole

C8H11BrN2S — CID 59019240

IUPAC2-bromo-5-piperidin-1-yl-1,3-thiazole
SMILESBrc1ncc(N2CCCCC2)s1
InChIInChI=1S/C8H11BrN2S/c9-8-10-6-7(12-8)11-4-2-1-3-5-11/h6H,1-5H2
InChIKeyUTGNTDCECJXOHP-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.90
Rot. Bonds1

About 2-bromo-5-piperidin-1-yl-1,3-thiazole

2-bromo-5-piperidin-1-yl-1,3-thiazole (PubChem CID 59019240) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is 2-bromo-5-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-piperidin-1-yl-1,3-thiazole
PubChem CID59019240
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name2-bromo-5-piperidin-1-yl-1,3-thiazole
SMILESBrc1ncc(N2CCCCC2)s1
InChIInChI=1S/C8H11BrN2S/c9-8-10-6-7(12-8)11-4-2-1-3-5-11/h6H,1-5H2
InChIKeyUTGNTDCECJXOHP-UHFFFAOYSA-N
XLogP2.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 2-bromo-5-piperidin-1-yl-1,3-thiazole (CID 59019240) is 2-bromo-5-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 2-bromo-5-piperidin-1-yl-1,3-thiazole is Brc1ncc(N2CCCCC2)s1.
What is the InChIKey of 2-bromo-5-piperidin-1-yl-1,3-thiazole?
The InChIKey is UTGNTDCECJXOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c9-8-10-6-7(12-8)11-4-2-1-3-5-11/h6H,1-5H2.
What are the key properties of 2-bromo-5-piperidin-1-yl-1,3-thiazole?
2-bromo-5-piperidin-1-yl-1,3-thiazole has a molecular weight of 247.16 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 59019240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).