6-amino-5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 250571
• Molecular Formular: C15H14N4O3S
• Molecular Mass: 330.36166
• Monoisotopic Mass: 330.07866133
• SMILES: c1(c(n(c(=O)n(c1=O)C)C)N)c1nc(sc1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)c1scc(n1)c1c(N)n(C)c(=O)n(c1=O)C
• InChI: InChI=1S/C15H14N4O3S/c1-18-12(16)11(14(21)19(2)15(18)22)10-7-23-13(17-10)8-3-5-9(20)6-4-8/h3-7,20H,16H2,1-2H3
• InChIKey: LMJZYRMIYHRZAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-amino-5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dimethylpyrimidine-2,4-dione
• Synonyms: 6-amino-5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Database IDs

• MDL Number: MFCD07352243
• PubChem SID: 164306481
• PubChem CID: 7131244

CALCULATED PROPERTIES

• Acid pKa: 9.250612
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5244474
• LogD (pH = 7.4): 1.518751
• Log P: 1.5247976
• Molar Refractivity: 105.0697 cm^3
• Polarizability: 32.74033 Å^3
• Polar Surface Area: 99.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.826

Product Information

• Purity: 95%