N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 226446
• Molecular Formular: C19H19N3O4S
• Molecular Mass: 385.43686
• Monoisotopic Mass: 385.1096271
• SMILES: s1c(nnc1C1CCCC1)NC(=O)COc1cc2oc(=O)cc(c2cc1)C
• Canonical SMILES: O=C(Nc1nnc(s1)C1CCCC1)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C19H19N3O4S/c1-11-8-17(24)26-15-9-13(6-7-14(11)15)25-10-16(23)20-19-22-21-18(27-19)12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,20,22,23)
• InChIKey: LKJDCQRYMCAEMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164282356
• PubChem CID: 71692388

CALCULATED PROPERTIES

• Log P: 3.0886626
• Molar Refractivity: 102.5021 cm^3
• Polarizability: 38.092804 Å^3
• Polar Surface Area: 90.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 10.173656
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.0886528
• LogD (pH = 7.4): 3.087968

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds