Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate

HCID 719362

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1sc(NC(=O)c2ccncc2)nc1C
InChIKey: ODETUOQNLWOPHL-UHFFFAOYSA-N
Molecular formula: C13H13N3O3S
Average molar mass: 291.33 g/mol

Names & identifiers

Preferred name: Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate
IUPAC: ethyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate

Names & synonyms

ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate302806-49-1SMR000117526CBMicro_045160Oprea1_178323Oprea1_500672MLS000527052SCHEMBL3582251CHEMBL1525682ODETUOQNLWOPHL-UHFFFAOYSA-NHMS2178A09STK851938

Show more names

AKOS000537057AKOS0056297384-Methyl-2-[(pyridine-4-carbonyl)-amino]-thiazole-5-carboxylic acid ethyl esterBIM-0045400.P001DB-370182EU-0071422ST50188547SR-01000431908

Database identifiers

PubChem CID: 719362
ChEMBL: CHEMBL1525682

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 109 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 361

Related reactions

4 records

New reaction record

HRID 45316As reactantuspto-grants-2013_09

HRID 45403As productuspto-grants-2013_09

HRID 1204773As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2147344As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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