N-(cyclopropylmethyl)-1,3-dimethyl-N-propyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

• ChemBase ID: 378481
• Molecular Formular: C13H20N4S
• Molecular Mass: 264.3897
• Monoisotopic Mass: 264.14086766
• SMILES: c12nc(sc1c(nn2C)C)N(CC1CC1)CCC
• Canonical SMILES: CCCN(c1sc2c(n1)n(nc2C)C)CC1CC1
• InChI: InChI=1S/C13H20N4S/c1-4-7-17(8-10-5-6-10)13-14-12-11(18-13)9(2)15-16(12)3/h10H,4-8H2,1-3H3
• InChIKey: ZEFNIUCMUGJUOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-1,3-dimethyl-N-propyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N-(cyclopropylmethyl)-1,3-dimethyl-N-propylpyrazolo[3,4-d][1,3]thiazol-5-amine
• Synonyms: N-(cyclopropylmethyl)-1,3-dimethyl-N-propyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

CALCULATED PROPERTIES

JChem

• Polarizability: 28.586494 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1358213
• LogD (pH = 7.4): 3.135915
• Log P: 3.1359162
• Molar Refractivity: 85.9422 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 0
• Log P: 3.09
• LOG S: -3.77