N-(furan-2-ylmethyl)-N-methyl-1,3-thiazolidine-4-carboxamide

• ChemBase ID: 266505
• Molecular Formular: C10H14N2O2S
• Molecular Mass: 226.29536
• Monoisotopic Mass: 226.0775987
• SMILES: C(=O)(N(Cc1occc1)C)C1NCSC1
• Canonical SMILES: O=C(N(Cc1ccco1)C)C1CSCN1
• InChI: InChI=1S/C10H14N2O2S/c1-12(5-8-3-2-4-14-8)10(13)9-6-15-7-11-9/h2-4,9,11H,5-7H2,1H3
• InChIKey: LZZLGFJYCZQVDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
• Synonyms: N-(furan-2-ylmethyl)-N-methyl-1,3-thiazolidine-4-carboxamide

Database IDs

• MDL Number: MFCD12191552
• PubChem SID: 164322415
• PubChem CID: 43526973

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4871486
• LogD (pH = 7.4): -0.015605564
• Log P: 0.18839172
• Molar Refractivity: 59.4432 cm^3
• Polarizability: 23.332022 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.769

Product Information

• Purity: 95%