6,7-dimethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinazoline

• ChemBase ID: 313186
• Molecular Formular: C13H12N4O2S2
• Molecular Mass: 320.38998
• Monoisotopic Mass: 320.04016764
• SMILES: c1(c(cc2c(c1)c(ncn2)Sc1sc(nn1)C)OC)OC
• Canonical SMILES: COc1cc2c(ncnc2cc1OC)Sc1nnc(s1)C
• InChI: InChI=1S/C13H12N4O2S2/c1-7-16-17-13(20-7)21-12-8-4-10(18-2)11(19-3)5-9(8)14-6-15-12/h4-6H,1-3H3
• InChIKey: RQVGFDBMONQTBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinazoline
• IUPAC Traditional name: 6,7-dimethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinazoline
• Synonyms: SKLB1002

Database IDs

• CAS Number: 1225451-84-2

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4752119
• LogD (pH = 7.4): 2.475287
• Log P: 2.475288
• Molar Refractivity: 83.9697 cm^3
• Polarizability: 32.457294 Å^3
• Polar Surface Area: 70.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: VEGFR

Product Information

• Salt Data: Free Base