N-[1-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 329705
• Molecular Formular: C14H16N6OS2
• Molecular Mass: 348.44644
• Monoisotopic Mass: 348.08270116
• SMILES: c1(nc2n(c1)ccs2)C(=O)NC1(c2sc(nn2)N)CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1)ccs2)NC1(CCCCC1)c1nnc(s1)N
• InChI: InChI=1S/C14H16N6OS2/c15-12-19-18-11(23-12)14(4-2-1-3-5-14)17-10(21)9-8-20-6-7-22-13(20)16-9/h6-8H,1-5H2,(H2,15,19)(H,17,21)
• InChIKey: KVGUVRZUNSEKTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.446437
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.70881
• LogD (pH = 7.4): 1.7088099
• Log P: 1.7088448
• Molar Refractivity: 101.614 cm^3
• Polarizability: 32.924927 Å^3
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.63
• LOG S: -3.99
• Polar Surface Area: 98.2 Å^2
• Rotatable Bonds: 3