4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole

C13H14BrN3S — CID 134273339

IUPAC4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
SMILESBrc1csc(-c2ccnc(N3CCCCC3)c2)n1
InChIInChI=1S/C13H14BrN3S/c14-11-9-18-13(16-11)10-4-5-15-12(8-10)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2
InChIKeyJLXOUOKZJDVNCB-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.96
Rot. Bonds2

About 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole

4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole (PubChem CID 134273339) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
PubChem CID134273339
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole
SMILESBrc1csc(-c2ccnc(N3CCCCC3)c2)n1
InChIInChI=1S/C13H14BrN3S/c14-11-9-18-13(16-11)10-4-5-15-12(8-10)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2
InChIKeyJLXOUOKZJDVNCB-UHFFFAOYSA-N
XLogP3.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole (CID 134273339) is 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole is Brc1csc(-c2ccnc(N3CCCCC3)c2)n1.
What is the InChIKey of 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
The InChIKey is JLXOUOKZJDVNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c14-11-9-18-13(16-11)10-4-5-15-12(8-10)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole?
4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole has a molecular weight of 324.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 134273339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).