4-chloro-N,N-dimethyl-5-{1-[2-(1H-pyrazol-1-yl)ethyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine

• ChemBase ID: 866044
• Molecular Formular: C13H15ClN6S
• Molecular Mass: 322.8164
• Monoisotopic Mass: 322.07674319
• SMILES: c1(c(nc(s1)N(C)C)Cl)c1n(ccn1)CCn1nccc1
• Canonical SMILES: Clc1nc(sc1c1nccn1CCn1cccn1)N(C)C
• InChI: InChI=1S/C13H15ClN6S/c1-18(2)13-17-11(14)10(21-13)12-15-5-7-19(12)8-9-20-6-3-4-16-20/h3-7H,8-9H2,1-2H3
• InChIKey: MGOVQLUQLLPPRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,N-dimethyl-5-{1-[2-(1H-pyrazol-1-yl)ethyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-chloro-N,N-dimethyl-5-{1-[2-(pyrazol-1-yl)ethyl]imidazol-2-yl}-1,3-thiazol-2-amine
• Synonyms: 4-chloro-N,N-dimethyl-5-{1-[2-(1H-pyrazol-1-yl)ethyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4579718
• LogD (pH = 7.4): 2.6025412
• Log P: 2.6048176
• Molar Refractivity: 106.764 cm^3
• Polarizability: 31.950026 Å^3
• Polar Surface Area: 51.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.25
• LOG S: -3.08
• Polar Surface Area: 51.77 Å^2
• Rotatable Bonds: 5