(2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid

C10H10N2O3S — CID 139685383

IUPAC(2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C[C@@]1(C(=O)O)CS[C@H](c2cccnc2)N1
InChIInChI=1S/C10H10N2O3S/c13-5-10(9(14)15)6-16-8(12-10)7-2-1-3-11-4-7/h1-5,8,12H,6H2,(H,14,15)/t8-,10+/m1/s1
InChIKeySAWULTQOZNVDAZ-SCZZXKLOSA-N
MW238.27 g/mol
LogP0.44
Rot. Bonds3

About (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 139685383) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID139685383
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name(2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C[C@@]1(C(=O)O)CS[C@H](c2cccnc2)N1
InChIInChI=1S/C10H10N2O3S/c13-5-10(9(14)15)6-16-8(12-10)7-2-1-3-11-4-7/h1-5,8,12H,6H2,(H,14,15)/t8-,10+/m1/s1
InChIKeySAWULTQOZNVDAZ-SCZZXKLOSA-N
XLogP0.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid (CID 139685383) is (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid is O=C[C@@]1(C(=O)O)CS[C@H](c2cccnc2)N1.
What is the InChIKey of (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SAWULTQOZNVDAZ-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-5-10(9(14)15)6-16-8(12-10)7-2-1-3-11-4-7/h1-5,8,12H,6H2,(H,14,15)/t8-,10+/m1/s1.
What are the key properties of (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-formyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 139685383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).