2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide

• ChemBase ID: 441783
• Molecular Formular: C15H20N6OS2
• Molecular Mass: 364.4889
• Monoisotopic Mass: 364.11400129
• SMILES: s1c(nnc1N)SCC(=O)NCCc1nc2c(c(n1)C)CCCC2
• Canonical SMILES: O=C(CSc1nnc(s1)N)NCCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C15H20N6OS2/c1-9-10-4-2-3-5-11(10)19-12(18-9)6-7-17-13(22)8-23-15-21-20-14(16)24-15/h2-8H2,1H3,(H2,16,20)(H,17,22)
• InChIKey: SRNXBTQKADGCPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
• Synonyms: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1958885
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.3345929
• LogD (pH = 7.4): 1.3349321
• Log P: 1.3349365
• Molar Refractivity: 97.8831 cm^3
• Polarizability: 36.15749 Å^3
• Polar Surface Area: 106.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.93
• LOG S: -3.51
• Polar Surface Area: 106.68 Å^2
• Rotatable Bonds: 6