N-(cyclopropylmethyl)-4-methyl-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-3-yl}-1,3-thiazol-2-amine

• ChemBase ID: 442637
• Molecular Formular: C17H25N5OS
• Molecular Mass: 347.4783
• Monoisotopic Mass: 347.17798145
• SMILES: c1(c2nn(cc2)CCN2CCOCC2)c(nc(s1)NCC1CC1)C
• Canonical SMILES: Cc1nc(sc1c1ccn(n1)CCN1CCOCC1)NCC1CC1
• InChI: InChI=1S/C17H25N5OS/c1-13-16(24-17(19-13)18-12-14-2-3-14)15-4-5-22(20-15)7-6-21-8-10-23-11-9-21/h4-5,14H,2-3,6-12H2,1H3,(H,18,19)
• InChIKey: COKRINQLWFWLCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-4-methyl-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-3-yl}-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(cyclopropylmethyl)-4-methyl-5-{1-[2-(morpholin-4-yl)ethyl]pyrazol-3-yl}-1,3-thiazol-2-amine
• Synonyms: N-(cyclopropylmethyl)-4-methyl-5-{1-[2-(4-morpholinyl)ethyl]-1H-pyrazol-3-yl}-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.572276
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4348713
• LogD (pH = 7.4): 1.8091768
• Log P: 1.9588001
• Molar Refractivity: 108.0123 cm^3
• Polarizability: 37.859726 Å^3
• Polar Surface Area: 55.21 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.86
• LOG S: -3.91
• Polar Surface Area: 55.21 Å^2
• Rotatable Bonds: 7