3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C14H16N4O2S
PTK: 304.367
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
304.367
Monoisotopic mass
304.099396466
InChI
InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChI Key
InChIKey=CAVCWRXFMNCBCM-UHFFFAOYSA-N
IUPAC Name
3-(2,2-dimethylpropanamido)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
Traditional IUPAC Name
3-(2,2-dimethylpropanamido)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILES
CC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1
Độ hòa tan
1.92e-02 g/l
logP
2.61
logS
-4.2
pKa (strongest acidic)
8.25
pKa (Strongest Basic)
0.2
PSA
83.98 Å2
Refractivity
82.31 m3·mol-1
Polarizability
31.42 Å3
Rotatable Bond Count
4
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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