(4-cyclopropyl-1,3-thiazol-2-yl)methanamine

• ChemBase ID: 239266
• Molecular Formular: C7H10N2S
• Molecular Mass: 154.2327
• Monoisotopic Mass: 154.05646933
• SMILES: n1c(C2CC2)csc1CN
• Canonical SMILES: NCc1scc(n1)C1CC1
• InChI: InChI=1S/C7H10N2S/c8-3-7-9-6(4-10-7)5-1-2-5/h4-5H,1-3,8H2
• InChIKey: CQIWKLBEIZIGBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-cyclopropyl-1,3-thiazol-2-yl)methanamine
• IUPAC Traditional name: (4-cyclopropyl-1,3-thiazol-2-yl)methanamine
• Synonyms: (4-cyclopropyl-1,3-thiazol-2-yl)methanamine

Database IDs

• MDL Number: MFCD05222066
• PubChem SID: 164295176
• PubChem CID: 3896896

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6317303
• LogD (pH = 7.4): 0.062675335
• Log P: 0.7421399
• Molar Refractivity: 41.0575 cm^3
• Polarizability: 16.186777 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.381

Product Information

• Purity: 95%