3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

• ChemBase ID: 239322
• Molecular Formular: C10H10N2OS
• Molecular Mass: 206.2642
• Monoisotopic Mass: 206.05138395
• SMILES: c12n(c(c(n1)C)C=O)c(cs2)C1CC1
• Canonical SMILES: O=Cc1c(C)nc2n1c(cs2)C1CC1
• InChI: InChI=1S/C10H10N2OS/c1-6-8(4-13)12-9(7-2-3-7)5-14-10(12)11-6/h4-5,7H,2-3H2,1H3
• InChIKey: UFCKNCUHZMOQSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• IUPAC Traditional name: 3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• Synonyms: 3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Database IDs

• MDL Number: MFCD22378722
• PubChem SID: 164295232
• PubChem CID: 71756386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.83443224
• LogD (pH = 7.4): 0.8362764
• Log P: 0.8363
• Molar Refractivity: 66.9085 cm^3
• Polarizability: 20.393236 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.485

Product Information

• Purity: 95%