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

C11H11N3O4S — CID 114324081

IUPAC2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C1NC(C(=O)NCc2cc(C(=O)O)ccn2)CS1
InChIInChI=1S/C11H11N3O4S/c15-9(8-5-19-11(18)14-8)13-4-7-3-6(10(16)17)1-2-12-7/h1-3,8H,4-5H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyADYXUUZWRJFLDI-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.22
Rot. Bonds4

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

2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324081) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324081
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C1NC(C(=O)NCc2cc(C(=O)O)ccn2)CS1
InChIInChI=1S/C11H11N3O4S/c15-9(8-5-19-11(18)14-8)13-4-7-3-6(10(16)17)1-2-12-7/h1-3,8H,4-5H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyADYXUUZWRJFLDI-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-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 107437307
2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 83193579
5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100617
2-[(thiolan-3-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 103064162
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324803
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325192
3-fluoro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 63190046
2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 104966797
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114324081) is 2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid is O=C1NC(C(=O)NCc2cc(C(=O)O)ccn2)CS1.
What is the InChIKey of 2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is ADYXUUZWRJFLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-9(8-5-19-11(18)14-8)13-4-7-3-6(10(16)17)1-2-12-7/h1-3,8H,4-5H2,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-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 2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).