N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

• ChemBase ID: 541517
• Molecular Formular: C19H27N5OS
• Molecular Mass: 373.51558
• Monoisotopic Mass: 373.19363151
• SMILES: c1(c(nns1)C)CN(C(=O)CCN1CCN(c2cc(ccc2)C)CC1)C
• Canonical SMILES: Cc1cccc(c1)N1CCN(CC1)CCC(=O)N(Cc1snnc1C)C
• InChI: InChI=1S/C19H27N5OS/c1-15-5-4-6-17(13-15)24-11-9-23(10-12-24)8-7-19(25)22(3)14-18-16(2)20-21-26-18/h4-6,13H,7-12,14H2,1-3H3
• InChIKey: YCCPBDLIAICUGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
• IUPAC Traditional name: N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
• Synonyms: N-methyl-3-[4-(3-methylphenyl)-1-piperazinyl]-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.15917337
• LogD (pH = 7.4): 1.6111677
• Log P: 2.3742566
• Molar Refractivity: 107.2637 cm^3
• Polarizability: 40.099636 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.41
• LOG S: -3.98
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6