1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone

C10H13BrN2OS — CID 79399962

IUPAC1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1c1nc(Br)cs1
InChIInChI=1S/C10H13BrN2OS/c1-7(14)8-4-2-3-5-13(8)10-12-9(11)6-15-10/h6,8H,2-5H2,1H3
InChIKeyCQRSJMYUEHGAGY-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.85
Rot. Bonds2

About 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone

1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone (PubChem CID 79399962) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
PubChem CID79399962
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1c1nc(Br)cs1
InChIInChI=1S/C10H13BrN2OS/c1-7(14)8-4-2-3-5-13(8)10-12-9(11)6-15-10/h6,8H,2-5H2,1H3
InChIKeyCQRSJMYUEHGAGY-UHFFFAOYSA-N
XLogP2.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone (CID 79399962) is 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1c1nc(Br)cs1.
What is the InChIKey of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone?
The InChIKey is CQRSJMYUEHGAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-7(14)8-4-2-3-5-13(8)10-12-9(11)6-15-10/h6,8H,2-5H2,1H3.
What are the key properties of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone?
1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone has a molecular weight of 289.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone is sourced from PubChem (CID 79399962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).