3-amino-6-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide

HCID 178617841

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Basic information

CAS: 442669-36-5
Standard SMILES: CCc1nc2sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N)c2cc1C
InChIKey: ZNWXEQCDVLHDPN-UHFFFAOYSA-N
Molecular formula: C18H16F3N3O2S
Average molar mass: 395.4 g/mol
Monoisotopic mass: 395.09153242

Names & identifiers

Preferred name: 3-amino-6-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
IUPAC: 3-amino-6-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
English name: 3-amino-6-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Molecular formula: C18H16F3N3O2S
Molecular weight: 395.4

Names & synonyms

3-amino-6-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide3-amino-6-ethyl-5-methyl-N-(4-(trifluoromethoxy)phenyl)thieno[2,3-b]pyridine-2-carboxamideTimTec1_005840HMS1550J10HTS01477STK768942AKOS001744633NCGC00173460-01442669-36-5SR-01000539751SR-01000539751-1Thieno[2,3-b]pyridine-2-carboxamide, 3-amino-6-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]-

Database identifiers

CAS: 442669-36-5
PubChem CID: 1005078

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 105 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 528

Physicochemical properties

Boiling point: 444.6 · 444.6±45.0 °C(Predicted)
Density: 1.428 · 1.428±0.06 g/cm3(Predicted)
pka: 10.85 · 10.85±0.70(Predicted)

Chemistry & industry

Suppliers3 total

PHARMEKS Ltd.[email protected]

Interbioscreen Ltd.[email protected]

SPECS[email protected]

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