2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide hydrate

Systemtic Name: 2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide hydrate Openeye Name: 2-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]thiazole-4-carboxamide hydrate CAS Name: 2-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-4-thiazolecarboxamide hydrate IUPAC Name: 2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide hydrate Traditional Name: 2-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]thiazole-4-carboxamide hydrate Formula: C18H26N4O7S2 MolecularWeight: 474.55164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1CO)C2=NC(=CS2)C(=O)N.C1CC(OC1CO)C2=NC(=CS2)C(=O)N.O

Isomeric SMILES

C1C[C@@H](O[C@@H]1CO)C2=NC(=CS2)C(=O)N.C1C[C@@H](O[C@@H]1CO)C2=NC(=CS2)C(=O)N.O

InChI

InChI=1S/2C9H12N2O3S.H2O/c2*10-8(13)6-4-15-9(11-6)7-2-1-5(3-12)14-7;/h2*4-5,7,12H,1-3H2,(H2,10,13);1H2/t2*5-,7+;/m00./s1