quinoline;1,3-thiazolidine-2-carbaldehyde

C13H14N2OS — CID 175264381

IUPACquinoline;1,3-thiazolidine-2-carbaldehyde
SMILESO=CC1NCCS1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H7NOS/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-5-1-2-7-4/h1-7H;3-5H,1-2H2
InChIKeyWBYGUOQNHQVKKP-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.08
Rot. Bonds1

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

quinoline;1,3-thiazolidine-2-carbaldehyde (PubChem CID 175264381) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is quinoline;1,3-thiazolidine-2-carbaldehyde.

Molecular Properties

Compound Namequinoline;1,3-thiazolidine-2-carbaldehyde
PubChem CID175264381
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Namequinoline;1,3-thiazolidine-2-carbaldehyde
SMILESO=CC1NCCS1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H7NOS/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-5-1-2-7-4/h1-7H;3-5H,1-2H2
InChIKeyWBYGUOQNHQVKKP-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 174643817
CID 174643817
quinoline
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quinoline;5H-tetrazole-5-carbaldehyde
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CID 161171284
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
CID 159709187
CID 159709187
platinum(2+);quinoline
CID 50910245
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CID 174748611
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CID 159945466

Frequently Asked Questions

What is the IUPAC name of quinoline;1,3-thiazolidine-2-carbaldehyde?
The IUPAC name of quinoline;1,3-thiazolidine-2-carbaldehyde (CID 175264381) is quinoline;1,3-thiazolidine-2-carbaldehyde.
What is the SMILES notation for quinoline;1,3-thiazolidine-2-carbaldehyde?
The canonical SMILES for quinoline;1,3-thiazolidine-2-carbaldehyde is O=CC1NCCS1.c1ccc2ncccc2c1.
What is the InChIKey of quinoline;1,3-thiazolidine-2-carbaldehyde?
The InChIKey is WBYGUOQNHQVKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C4H7NOS/c1-2-6-9-8(4-1)5-3-7-10-9;6-3-4-5-1-2-7-4/h1-7H;3-5H,1-2H2.
What are the key properties of quinoline;1,3-thiazolidine-2-carbaldehyde?
quinoline;1,3-thiazolidine-2-carbaldehyde has a molecular weight of 246.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;1,3-thiazolidine-2-carbaldehyde is sourced from PubChem (CID 175264381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).