N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide

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Basic information

CAS: 113906-01-7
Standard SMILES: Cn1cccc1/C=N/NC(=O)c1cccs1
InChIKey: ZBARXLYVCNLMDC-XYOKQWHBSA-N
Molecular formula: C11H11N3OS
Average molar mass: 233.29 g/mol
Monoisotopic mass: 233.06228316

Names & identifiers

Preferred name: N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
IUPAC: N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide

Names & synonyms

N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]thiophene-2-carbohydrazideN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide113906-01-7MLS001146191CHEMBL3194829DTXSID001329441STL354064AKOS002177688SMR000646870ST044741N-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-2-thienylcarboxamide(E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)thiophene-2-carbohydrazide

Database identifiers

CAS: 113906-01-7
PubChem CID: 6880392
DTXSID: DTXSID001329441
ChEMBL: CHEMBL3194829

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 282

Experimental & physicochemical properties

Solubility29.4 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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