2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde

C9H6N2O2S — CID 58504294

IUPAC2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc[nH]c2=O)s1
InChIInChI=1S/C9H6N2O2S/c12-5-6-4-11-9(14-6)7-2-1-3-10-8(7)13/h1-5H,(H,10,13)
InChIKeyRBQOVFUNOSRPAV-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.31
Rot. Bonds2

About 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde

2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 58504294) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID58504294
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc[nH]c2=O)s1
InChIInChI=1S/C9H6N2O2S/c12-5-6-4-11-9(14-6)7-2-1-3-10-8(7)13/h1-5H,(H,10,13)
InChIKeyRBQOVFUNOSRPAV-UHFFFAOYSA-N
XLogP1.31
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde (CID 58504294) is 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2ccc[nH]c2=O)s1.
What is the InChIKey of 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is RBQOVFUNOSRPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-5-6-4-11-9(14-6)7-2-1-3-10-8(7)13/h1-5H,(H,10,13).
What are the key properties of 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde?
2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 206.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 58504294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).