Molecule ID: 56927767

IUPAC Name: 2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-N-butyl-3,3-dimethoxypropanamide

Description: The molecule is a monocarboxylic acid amide obtained by formal condensation between N-butyl-3,3-dimethoxyalaninamide and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid. It is an acetal, an oxime O-ether, a member of 1,3-thiazoles and a secondary carboxamide.

SMILES: CCCCN=C(O)C(N=C(O)/C(=N\OC)c1csc(=N)[nH]1)C(OC)OC

SELFIES: [C][C][C][C][N][=C][Branch1][C][O][C][Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][/C][=Branch1][Ring2][=N][\O][C][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1][C][Branch1][Ring1][O][C][O][C]

InChI: InChI=1S/C15H25N5O5S/c1-5-6-7-17-12(21)11(14(23-2)24-3)19-13(22)10(20-25-4)9-8-26-15(16)18-9/h8,11,14H,5-7H2,1-4H3,(H2,16,18)(H,17,21)(H,19,22)/b20-10-

Molecular Properties:
- Polar Surface Area: 165.0 Ų
- LogP: 1.2