quinoline;1,3-thiazole;hydrobromide

C12H11BrN2S — CID 174594255

IUPACquinoline;1,3-thiazole;hydrobromide
SMILESBr.c1ccc2ncccc2c1.c1cscn1
InChIInChI=1S/C9H7N.C3H3NS.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1;/h1-7H;1-3H;1H
InChIKeyCTJFOXDVNNRSDX-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.96
Rot. Bonds

About quinoline;1,3-thiazole;hydrobromide

quinoline;1,3-thiazole;hydrobromide (PubChem CID 174594255) has the molecular formula C12H11BrN2S and a molecular weight of 295.21 g/mol. Its IUPAC name is quinoline;1,3-thiazole;hydrobromide.

Molecular Properties

Compound Namequinoline;1,3-thiazole;hydrobromide
PubChem CID174594255
Molecular FormulaC12H11BrN2S
Molecular Weight295.21 g/mol
Exact Mass293.98
IUPAC Namequinoline;1,3-thiazole;hydrobromide
SMILESBr.c1ccc2ncccc2c1.c1cscn1
InChIInChI=1S/C9H7N.C3H3NS.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1;/h1-7H;1-3H;1H
InChIKeyCTJFOXDVNNRSDX-UHFFFAOYSA-N
XLogP3.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of quinoline;1,3-thiazole;hydrobromide?
The IUPAC name of quinoline;1,3-thiazole;hydrobromide (CID 174594255) is quinoline;1,3-thiazole;hydrobromide.
What is the SMILES notation for quinoline;1,3-thiazole;hydrobromide?
The canonical SMILES for quinoline;1,3-thiazole;hydrobromide is Br.c1ccc2ncccc2c1.c1cscn1.
What is the InChIKey of quinoline;1,3-thiazole;hydrobromide?
The InChIKey is CTJFOXDVNNRSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H3NS.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1;/h1-7H;1-3H;1H.
What are the key properties of quinoline;1,3-thiazole;hydrobromide?
quinoline;1,3-thiazole;hydrobromide has a molecular weight of 295.21 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;1,3-thiazole;hydrobromide is sourced from PubChem (CID 174594255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).