2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE
Thuốc Gốc
Small Molecule
CTHH: C14H12FN5OS2
PTK: 349.406
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
349.406
Monoisotopic mass
349.046729616
InChI
InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)
InChI Key
InChIKey=YUCYMQBDBXVNCE-UHFFFAOYSA-N
IUPAC Name
2-amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)benzamide
Traditional IUPAC Name
2-amino-4-fluoro-5-[(1-methylimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)benzamide
SMILES
CN1C=CN=C1SC1=CC(C(=O)NC2=NC=CS2)=C(N)C=C1F
Độ hòa tan
9.98e-02 g/l
logP
3.35
logS
-3.5
pKa (strongest acidic)
9.59
pKa (Strongest Basic)
4.94
PSA
85.83 Å2
Refractivity
91.2 m3·mol-1
Polarizability
34.13 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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