(4s)-2-[(1e)-1-Aminoprop-1-Enyl]-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid
Thuốc Gốc
Small Molecule
CTHH: C7H10N2O2S
PTK: 186.231
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
186.231
Monoisotopic mass
186.046298264
InChI
InChI=1S/C7H10N2O2S/c1-2-4(8)6-9-5(3-12-6)7(10)11/h2,5H,3,8H2,1H3,(H,10,11)/b4-2-/t5-/m1/s1
InChI Key
InChIKey=FDEYZMSECWCRCN-DWFCDSDJSA-N
IUPAC Name
(4S)-2-[(1Z)-1-aminoprop-1-en-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Traditional IUPAC Name
(4S)-2-[(1Z)-1-aminoprop-1-en-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILES
[H][C@@]1(CSC(=N1)C(\N)=C\C)C(O)=O
Độ hòa tan
1.65e+00 g/l
logP
-0.23
logS
-2
pKa (strongest acidic)
3.6
pKa (Strongest Basic)
4.23
PSA
75.68 Å2
Refractivity
48.67 m3·mol-1
Polarizability
18.4 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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