8-[Ethoxymethylidene]-6H-[1,3]thiazolo[5,4-e]indol-7-one

HCID 53990807

Notes Reactions

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Basic information

Standard SMILES: CCOC=C1C(=O)Nc2ccc3ncsc3c21
InChIKey: KESPUSYLYJRMDM-UHFFFAOYSA-N
Molecular formula: C12H10N2O2S
Average molar mass: 246.29 g/mol

Names & identifiers

Preferred name: 8-[Ethoxymethylidene]-6H-[1,3]thiazolo[5,4-e]indol-7-one
IUPAC: 8-(ethoxymethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one

Names & synonyms

SCHEMBL5873790KESPUSYLYJRMDM-UHFFFAOYSA-N8-[Ethoxymethylidene]-6H-[1,3]thiazolo[5,4-e]indol-7-one8-ethoxymethylene-6,8-dihydro- 1-thia-3,6-diaza-as-indacen-7-one8-ethoxymethylene-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one8ethoxymethylene-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one

Database identifiers

PubChem CID: 53990807

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 79.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 358

Related reactions

78 records

New reaction record

HRID 92357As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 93520As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 158112As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 165150As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 213337As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 214740As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 296072As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 814223As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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