(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-1,3-THIAZOL-4-ONE
Thuốc Gốc
Small Molecule
CTHH: C11H8F3NOS2
PTK: 291.313
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H8F3NOS2
Phân tử khối
291.313
Monoisotopic mass
290.999939878
InChI
InChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-4,8H,5H2,(H,15,16,17)/t8-/m1/s1
InChI Key
InChIKey=HBYVUUWMCCSRBI-MRVPVSSYSA-N
IUPAC Name
(5R)-2-sulfanyl-5-{[4-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1,3-thiazol-4-one
Traditional IUPAC Name
(5R)-2-sulfanyl-5-{[4-(trifluoromethyl)phenyl]methyl}-5H-1,3-thiazol-4-one
SMILES
[H][C@]1(CC2=CC=C(C=C2)C(F)(F)F)SC(S)=NC1=O
Độ hòa tan
1.36e-02 g/l
logP
3.71
logS
-4.3
pKa (strongest acidic)
5.65
pKa (Strongest Basic)
-5.1
PSA
29.43 Å2
Refractivity
67.07 m3·mol-1
Polarizability
25.08 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
-1
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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