6,6-dimethyl-4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-amine

• ChemBase ID: 199332
• Molecular Formular: C8H12N2OS
• Molecular Mass: 184.25868
• Monoisotopic Mass: 184.06703401
• SMILES: c12nc(sc1COC(C2)(C)C)N
• Canonical SMILES: Nc1sc2c(n1)CC(OC2)(C)C
• InChI: InChI=1S/C8H12N2OS/c1-8(2)3-5-6(4-11-8)12-7(9)10-5/h3-4H2,1-2H3,(H2,9,10)
• InChIKey: VKOKEBAIQACFBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-dimethyl-4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-amine
• IUPAC Traditional name: 6,6-dimethyl-4H,7H-pyrano[4,3-d][1,3]thiazol-2-amine

Database IDs

• PubChem SID: 164255242
• PubChem CID: 908064

CALCULATED PROPERTIES

• Acid pKa: 16.667194
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2371718
• LogD (pH = 7.4): 1.2621144
• Log P: 1.2624425
• Molar Refractivity: 48.5801 cm^3
• Polarizability: 18.36263 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds