1-(4-phenyl-1,3-thiazol-2-yl)guanidine

• ChemBase ID: 60849
• Molecular Formular: C10H10N4S
• Molecular Mass: 218.2782
• Monoisotopic Mass: 218.06261734
• SMILES: c1(nc(cs1)c1ccccc1)NC(=N)N
• Canonical SMILES: NC(=N)Nc1scc(n1)c1ccccc1
• InChI: InChI=1S/C10H10N4S/c11-9(12)14-10-13-8(6-15-10)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)
• InChIKey: GENKQMMVXFFZPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenyl-1,3-thiazol-2-yl)guanidine
• IUPAC Traditional name: 1-(4-phenyl-1,3-thiazol-2-yl)guanidine
• Synonyms: N-(4-Phenyl-1,3-thiazol-2-yl)guanidine; 1-(4-phenylthiazol-2-yl)guanidine

Database IDs

• MDL Number: MFCD06739728
• PubChem SID: 162026590
• PubChem CID: 3763607

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.42026502
• LogD (pH = 7.4): 1.9390893
• Log P: 2.3233573
• Molar Refractivity: 71.6377 cm^3
• Polarizability: 23.883226 Å^3
• Polar Surface Area: 74.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false