6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid

C14H19N3O5S — CID 138045593

IUPAC6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N(C)CCN2CCCS2(=O)=O)ccc1C(=O)O
InChIInChI=1S/C14H19N3O5S/c1-10-11(14(19)20)4-5-12(15-10)13(18)16(2)7-8-17-6-3-9-23(17,21)22/h4-5H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyYWMKCXQAZKBYJS-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.20
Rot. Bonds5

About 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid

6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 138045593) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID138045593
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N(C)CCN2CCCS2(=O)=O)ccc1C(=O)O
InChIInChI=1S/C14H19N3O5S/c1-10-11(14(19)20)4-5-12(15-10)13(18)16(2)7-8-17-6-3-9-23(17,21)22/h4-5H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyYWMKCXQAZKBYJS-UHFFFAOYSA-N
XLogP0.20
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid (CID 138045593) is 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1nc(C(=O)N(C)CCN2CCCS2(=O)=O)ccc1C(=O)O.
What is the InChIKey of 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is YWMKCXQAZKBYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-10-11(14(19)20)4-5-12(15-10)13(18)16(2)7-8-17-6-3-9-23(17,21)22/h4-5H,3,6-9H2,1-2H3,(H,19,20).
What are the key properties of 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 341.39 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 138045593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).