(2-phenyl-1,3-thiazol-4-yl)methanamine hydrochloride

• ChemBase ID: 239584
• Molecular Formular: C10H11ClN2S
• Molecular Mass: 226.72574
• Monoisotopic Mass: 226.03314704
• SMILES: n1c(scc1CN)c1ccccc1.Cl
• Canonical SMILES: NCc1csc(n1)c1ccccc1.Cl
• InChI: InChI=1S/C10H10N2S.ClH/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
• InChIKey: NRSFWQQBOWQTGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03419482
• PubChem SID: 164295494
• PubChem CID: 17217154

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7092002
• LogD (pH = 7.4): 0.95335394
• Log P: 1.8640492
• Molar Refractivity: 64.3192 cm^3
• Polarizability: 21.754086 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.536

Product Information

• Purity: 95%