2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE
Thuốc Gốc
Small Molecule
CTHH: C10H6N2O2S2
PTK: 250.297
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
250.297
Monoisotopic mass
249.987068826
InChI
InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2
InChI Key
InChIKey=JJVOROULKOMTKG-UHFFFAOYSA-N
IUPAC Name
2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-one
Traditional IUPAC Name
2-(6-hydroxy-1,3-benzothiazol-2-yl)-5H-1,3-thiazol-4-one
SMILES
OC1=CC2=C(C=C1)N=C(S2)C1=NC(=O)CS1
Độ hòa tan
9.13e-02 g/l
logP
1.68
logS
-3.4
pKa (strongest acidic)
9.22
pKa (Strongest Basic)
1
PSA
62.55 Å2
Refractivity
61.92 m3·mol-1
Polarizability
24.28 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
4
H Bond Donor Count
1
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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