N-cyclopropyl-4-methyl-1,3-thiazol-2-amine

• ChemBase ID: 277760
• Molecular Formular: C7H10N2S
• Molecular Mass: 154.2327
• Monoisotopic Mass: 154.05646933
• SMILES: c1(nc(cs1)C)NC1CC1
• Canonical SMILES: Cc1csc(n1)NC1CC1
• InChI: InChI=1S/C7H10N2S/c1-5-4-10-7(8-5)9-6-2-3-6/h4,6H,2-3H2,1H3,(H,8,9)
• InChIKey: QHYKBSROBGBUJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-methyl-1,3-thiazol-2-amine
• IUPAC Traditional name: N-cyclopropyl-4-methyl-1,3-thiazol-2-amine
• Synonyms: N-cyclopropyl-4-methyl-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD11115441
• PubChem SID: 164333670
• PubChem CID: 21803358

CALCULATED PROPERTIES

• Acid pKa: 15.599896
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3771526
• LogD (pH = 7.4): 1.3858888
• Log P: 1.3860015
• Molar Refractivity: 42.7362 cm^3
• Polarizability: 15.802555 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 2.116

Product Information

• Purity: 95%