N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C12H16N6OS2
PTK: 324.425
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
324.425
Monoisotopic mass
324.082700544
InChI
InChI=1S/C12H16N6OS2/c13-12(14)16-4-2-1-3-15-10(19)8-6-21-11(18-8)9-5-20-7-17-9/h5-7H,1-4H2,(H,15,19)(H4,13,14,16)
InChI Key
InChIKey=VSIFMASDYAMOAN-UHFFFAOYSA-N
IUPAC Name
N-(4-carbamimidamidobutyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
Traditional IUPAC Name
N-(4-carbamimidamidobutyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
SMILES
NC(=N)NCCCCNC(=O)C1=CSC(=N1)C1=CSC=N1
Độ hòa tan
1.65e-01 g/l
logP
0.61
logS
-3.3
pKa (strongest acidic)
14.62
pKa (Strongest Basic)
11.97
PSA
116.78 Å2
Refractivity
102.98 m3·mol-1
Polarizability
33.99 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
6
H Bond Donor Count
4
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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