4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol
Thuốc Gốc
Small Molecule
CTHH: C15H15N5OS
PTK: 313.378
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
313.378
Monoisotopic mass
313.099730817
InChI
InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
InChI Key
InChIKey=OTMLAWRVLMYMDF-UHFFFAOYSA-N
IUPAC Name
4-({4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl}amino)phenol
Traditional IUPAC Name
4-({4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl}amino)phenol
SMILES
CNC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(O)C=C2)=N1
Độ hòa tan
2.00e-02 g/l
logP
2.84
logS
-4.2
pKa (strongest acidic)
10.23
pKa (Strongest Basic)
3.01
PSA
82.96 Å2
Refractivity
87.15 m3·mol-1
Polarizability
32.88 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
3
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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