N-[2-[(2,6-Difluorophenyl)amino]-2-oxoethyl]-N-ethylthieno[2a(2),3a(2):4,5]imidazo[2,1-b]thiazole-2-carboxamide

HCID 38371017

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Basic information

CAS: 1211669-84-9
Standard SMILES: CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc2c(nc3sccn32)s1
InChIKey: WGGNUVLCWSPEML-UHFFFAOYSA-N
Molecular formula: C18H14F2N4O2S2
Average molar mass: 420.5 g/mol
Monoisotopic mass: 420.05262437

Names & identifiers

Preferred name: N-[2-[(2,6-Difluorophenyl)amino]-2-oxoethyl]-N-ethylthieno[2a(2),3a(2):4,5]imidazo[2,1-b]thiazole-2-carboxamide
IUPAC: N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide

Names & synonyms

DTXSID201110953AKOS0345294301211669-84-9Z68761754N-[2-[(2,6-Difluorophenyl)amino]-2-oxoethyl]-N-ethylthieno[2a(2),3a(2):4,5]imidazo[2,1-b]thiazole-2-carboxamide

Database identifiers

CAS: 1211669-84-9
PubChem CID: 38371017
DTXSID: DTXSID201110953

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 123 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 606

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