5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C11H11N3O4S — CID 81100617

IUPAC5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C1NC(C(=O)NCc2ccc(C(=O)O)nc2)CS1
InChIInChI=1S/C11H11N3O4S/c15-9(8-5-19-11(18)14-8)13-4-6-1-2-7(10(16)17)12-3-6/h1-3,8H,4-5H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyCDNJNEFFQZETSX-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.22
Rot. Bonds4

About 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81100617) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81100617
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C1NC(C(=O)NCc2ccc(C(=O)O)nc2)CS1
InChIInChI=1S/C11H11N3O4S/c15-9(8-5-19-11(18)14-8)13-4-6-1-2-7(10(16)17)12-3-6/h1-3,8H,4-5H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyCDNJNEFFQZETSX-UHFFFAOYSA-N
XLogP0.22
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61004650
2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324081
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202
5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 114429335
5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099375
5-[(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099828
5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 107068397
5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099650
5-[(thiolan-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 107297439
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
5-[(1,4-dioxane-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81098748

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81100617) is 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid is O=C1NC(C(=O)NCc2ccc(C(=O)O)nc2)CS1.
What is the InChIKey of 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is CDNJNEFFQZETSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-9(8-5-19-11(18)14-8)13-4-6-1-2-7(10(16)17)12-3-6/h1-3,8H,4-5H2,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81100617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).