quinoline;1,3-thiazole-2-carbaldehyde

C13H10N2OS — CID 160877653

IUPACquinoline;1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nccs1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H3NOS/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-5-1-2-7-4/h1-7H;1-3H
InChIKeySMPMUHPXKVXQET-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.19
Rot. Bonds1

About quinoline;1,3-thiazole-2-carbaldehyde

quinoline;1,3-thiazole-2-carbaldehyde (PubChem CID 160877653) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is quinoline;1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Namequinoline;1,3-thiazole-2-carbaldehyde
PubChem CID160877653
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Namequinoline;1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nccs1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H3NOS/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-5-1-2-7-4/h1-7H;1-3H
InChIKeySMPMUHPXKVXQET-UHFFFAOYSA-N
XLogP3.19
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinoline;1,3-thiazole-2-carbaldehyde?
The IUPAC name of quinoline;1,3-thiazole-2-carbaldehyde (CID 160877653) is quinoline;1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for quinoline;1,3-thiazole-2-carbaldehyde?
The canonical SMILES for quinoline;1,3-thiazole-2-carbaldehyde is O=Cc1nccs1.c1ccc2ncccc2c1.
What is the InChIKey of quinoline;1,3-thiazole-2-carbaldehyde?
The InChIKey is SMPMUHPXKVXQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C4H3NOS/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-5-1-2-7-4/h1-7H;1-3H.
What are the key properties of quinoline;1,3-thiazole-2-carbaldehyde?
quinoline;1,3-thiazole-2-carbaldehyde has a molecular weight of 242.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 160877653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).