N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 689826
• Molecular Formular: C13H14N4OS2
• Molecular Mass: 306.40646
• Monoisotopic Mass: 306.06090309
• SMILES: c1(nc2n(c1)ccs2)C(=O)NCCCc1nc(cs1)C
• Canonical SMILES: Cc1csc(n1)CCCNC(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C13H14N4OS2/c1-9-8-20-11(15-9)3-2-4-14-12(18)10-7-17-5-6-19-13(17)16-10/h5-8H,2-4H2,1H3,(H,14,18)
• InChIKey: AAVCVOWTDOZBTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.260439
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3665543
• LogD (pH = 7.4): 1.3668896
• Log P: 1.3668939
• Molar Refractivity: 90.3094 cm^3
• Polarizability: 29.557123 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.2
• LOG S: -4.17
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 5