CCOC(=O)c1sc(N2CCC(N)CC2)nc1C
名称: ethyl 2-(4-aminopiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILES: CCOC(=O)c1sc(N2CCC(N)CC2)nc1C

Molecular Processing

Molecular formula
C12H19N3O2S
Molecular weight
269.37
Exact mass
269.1198
XLogP
1.56
TPSA
68.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
72.23

Supplementary Information

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