1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone

C14H9BrN2OS — CID 112618305

IUPAC1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(Br)c3cccnc23)n1
InChIInChI=1S/C14H9BrN2OS/c1-8(18)12-7-19-14(17-12)10-4-5-11(15)9-3-2-6-16-13(9)10/h2-7H,1H3
InChIKeySAONNKACOKMCKY-UHFFFAOYSA-N
MW333.21 g/mol
LogP4.32
Rot. Bonds2

About 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 112618305) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID112618305
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC Name1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc(Br)c3cccnc23)n1
InChIInChI=1S/C14H9BrN2OS/c1-8(18)12-7-19-14(17-12)10-4-5-11(15)9-3-2-6-16-13(9)10/h2-7H,1H3
InChIKeySAONNKACOKMCKY-UHFFFAOYSA-N
XLogP4.32
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone (CID 112618305) is 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2ccc(Br)c3cccnc23)n1.
What is the InChIKey of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is SAONNKACOKMCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c1-8(18)12-7-19-14(17-12)10-4-5-11(15)9-3-2-6-16-13(9)10/h2-7H,1H3.
What are the key properties of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 333.21 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 112618305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).