2-Ethoxalylamino-5-isopropylthiophene

HCID 19100732

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 149587-86-0
Standard SMILES: CCOC(=O)C(=O)Nc1ccc(C(C)C)s1
InChIKey: TYTDPDYMEVOMCY-UHFFFAOYSA-N
Molecular formula: C11H15NO3S
Average molar mass: 241.31 g/mol
Monoisotopic mass: 241.07726451

Names & identifiers

Preferred name: 2-Ethoxalylamino-5-isopropylthiophene
IUPAC: ethyl 2-oxo-2-[(5-propan-2-ylthiophen-2-yl)amino]acetate

Names & synonyms

SCHEMBL9097453TYTDPDYMEVOMCY-UHFFFAOYSA-NDTXSID1011976972-Ethoxalylamino-5-isopropylthiopheneEthyl oxo{[5-(propan-2-yl)thiophen-2-yl]amino}acetateEthyl 2-[[5-(1-methylethyl)-2-thienyl]amino]-2-oxoacetate149587-86-0

Database identifiers

CAS: 149587-86-0
PubChem CID: 19100732
DTXSID: DTXSID101197697

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 268

Related reactions

2 records

New reaction record

HRID 1974966As reactantuspto-grants-1994_02

HRID 2337971As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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