(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-
Thuốc Gốc
Small Molecule
CTHH: C15H19FN2O2S
PTK: 310.387
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
310.387
Monoisotopic mass
310.115126757
InChI
InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1
InChI Key
InChIKey=HYVZYASDRIAOPU-BJOHPYRUSA-N
IUPAC Name
(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(2-hydroxypropan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-4-one
Traditional IUPAC Name
(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-4-one
SMILES
[H][C@@](C)(NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)C1=CC=C(F)C=C1
Độ hòa tan
6.22e-02 g/l
logP
2.55
logS
-3.7
pKa (strongest acidic)
14.19
pKa (Strongest Basic)
-0.78
PSA
61.69 Å2
Refractivity
81.35 m3·mol-1
Polarizability
30.87 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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