4-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine

• ChemBase ID: 122270
• Molecular Formular: C8H10N4S
• Molecular Mass: 194.2568
• Monoisotopic Mass: 194.06261734
• SMILES: c1(c2nc(sc2)N)c(nn(c1)C)C
• Canonical SMILES: Cn1nc(c(c1)c1csc(n1)N)C
• InChI: InChI=1S/C8H10N4S/c1-5-6(3-12(2)11-5)7-4-13-8(9)10-7/h3-4H,1-2H3,(H2,9,10)
• InChIKey: BAZMMNWMHWSUPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine
• Synonyms: 4-(1,3-dimethyl-1H-pyrazol-4-yl)thiazol-2-amine

Database IDs

• PubChem SID: 162216623
• PubChem CID: 6485390

CALCULATED PROPERTIES

• Acid pKa: 16.616236
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0677114
• LogD (pH = 7.4): 1.0795159
• Log P: 1.0796685
• Molar Refractivity: 63.6992 cm^3
• Polarizability: 20.522331 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true