2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde

C10H10N2O2S — CID 22366711

IUPAC2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde
SMILESO=CC1CSC(c2cccnc2)N1C=O
InChIInChI=1S/C10H10N2O2S/c13-5-9-6-15-10(12(9)7-14)8-2-1-3-11-4-8/h1-5,7,9-10H,6H2
InChIKeyXRBXCHJKRLBMRU-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.85
Rot. Bonds3

About 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde

2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde (PubChem CID 22366711) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde.

Molecular Properties

Compound Name2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde
PubChem CID22366711
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde
SMILESO=CC1CSC(c2cccnc2)N1C=O
InChIInChI=1S/C10H10N2O2S/c13-5-9-6-15-10(12(9)7-14)8-2-1-3-11-4-8/h1-5,7,9-10H,6H2
InChIKeyXRBXCHJKRLBMRU-UHFFFAOYSA-N
XLogP0.85
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Phenyl-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731886
3-(Cyclopropylmethyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2732306
ST085749
CID 317081
2-(3-Piridyl)thiazolidine-4-carboxylic acid
CID 327593
3-(4-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 5080345
1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carbothioic acid S-(3-pyridin-3-yl-propyl) ester
CID 10177566
3-Dodecyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732010
(4R)-2-(3-pyridyl)thiazolidine-4-carboxylic acid
CID 6610570
(2R,5S)-3,5-Dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one;hydrochloride
CID 178014
3-Benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3719133
3-(3-Methylphenyl)-2-(pyridin-3-YL)-1,3-thiazolidin-4-one
CID 5010546
3-(1,1-Dioxidotetrahydro-3-thienyl)-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 5729835

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde?
The IUPAC name of 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde (CID 22366711) is 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde.
What is the SMILES notation for 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde?
The canonical SMILES for 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde is O=CC1CSC(c2cccnc2)N1C=O.
What is the InChIKey of 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde?
The InChIKey is XRBXCHJKRLBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-5-9-6-15-10(12(9)7-14)8-2-1-3-11-4-8/h1-5,7,9-10H,6H2.
What are the key properties of 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde?
2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde has a molecular weight of 222.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1,3-thiazolidine-3,4-dicarbaldehyde is sourced from PubChem (CID 22366711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).