N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3-methylthiophen-2-yl)methyl]propanamide

• ChemBase ID: 843338
• Molecular Formular: C15H21N3O2S3
• Molecular Mass: 371.54114
• Monoisotopic Mass: 371.07958993
• SMILES: s1c(nnc1C)SCCC(=O)N(Cc1c(ccs1)C)CCOC
• Canonical SMILES: COCCN(C(=O)CCSc1nnc(s1)C)Cc1sccc1C
• InChI: InChI=1S/C15H21N3O2S3/c1-11-4-8-21-13(11)10-18(6-7-20-3)14(19)5-9-22-15-17-16-12(2)23-15/h4,8H,5-7,9-10H2,1-3H3
• InChIKey: IKNUXKSAZVCGPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3-methylthiophen-2-yl)methyl]propanamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3-methylthiophen-2-yl)methyl]propanamide
• Synonyms: N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-[(3-methyl-2-thienyl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5392492
• LogD (pH = 7.4): 2.5392518
• Log P: 2.5392518
• Molar Refractivity: 98.0981 cm^3
• Polarizability: 36.95188 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.08
• LOG S: -3.69
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 9