4-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(3-methylthiophen-2-yl)-1,3-thiazole

• ChemBase ID: 86274
• Molecular Formular: C24H29NS2
• Molecular Mass: 395.62376
• Monoisotopic Mass: 395.17414193
• SMILES: n1c(c2c(ccs2)C)scc1c1cc2c(cc1CC)C(CCC2(C)C)(C)C
• Canonical SMILES: CCc1cc2c(cc1c1csc(n1)c1sccc1C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C24H29NS2/c1-7-16-12-18-19(24(5,6)10-9-23(18,3)4)13-17(16)20-14-27-22(25-20)21-15(2)8-11-26-21/h8,11-14H,7,9-10H2,1-6H3
• InChIKey: IOSFTXLJRKVWRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(3-methylthiophen-2-yl)-1,3-thiazole
• IUPAC Traditional name: 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(3-methylthiophen-2-yl)-1,3-thiazole
• Synonyms: 4-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(3-methyl-2-thienyl)-1,3-thiazole

Database IDs

• MDL Number: MFCD01567198
• PubChem SID: 162073390
• PubChem CID: 2798310

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.564817
• LogD (pH = 7.4): 8.564831
• Log P: 8.564831
• Molar Refractivity: 128.2351 cm^3
• Polarizability: 47.265057 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false